Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0A7SF)
DIG Name
Phenylmercuric acetate
Synonyms    Click to Show/Hide the Synonyms of This DIG
phenylmercuric acetate; phenylmercury acetate; 62-38-4; acetoxyphenylmercury; Liquiphene; Anticon; Dyanacide; Gallotox; Hostaquik; Kwiksan; Meracen; Mercuron; Mersolite; Neantina; Norforms; Nylmerate; Phenmad; Programin; Quicksan; Trigosan; Verdasan; Ziarnik; Bufen; Femma; Riogen; Scutl; Phix; mercuriphenyl acetate; phenomercuric acetate; Contra Creme; Fungicide R; Hong nien; Antimucin WDR; Fungitox OR; Sanitized SPG; Mersolite 8; Spor-Kil; (acetoxymercuri)benzene; Phenyl mercuric acetate; Phenylmercuriacetate; Puraturf 10; Quicksan 20; (acetato-O)phenylmercury; Agrosan GN 5; Metasol 30; Panomatic; Sanmicron; Shimmerex; Cekusil; Celmer; Pamisan; Seedtox; Setrete; Volpar; PMAC; PMAL; PMAS; Purasan-SC-10; Tag Fungicide; Mersolite D; Spruce Seal; Antimucin WBR; Algimycin 200; phenylmercury(II) acetate; Pmacetate; Bufen 30; (Acetato)phenylmercury; Mercury, (acetato-O)phenyl-; Fenylmercuriacetat; Mercury, acetoxyphenyl-; Octan fenylrtutnaty; Hl-331; Mercury, (acetato)phenyl-; TAG 331; Benzene, (acetoxymercuri)-; Tag HL 331; Benzene, (acetoxymercurio)-; Phenylquecksilberacetat; SC-110; Mercury(II) acetate, phenyl-; Acetate phenylmercurique; Algimycin; Leytosan; Ceresan universal; Acetic acid, phenylmercury(II) salt; (aceto)phenylmercury; acetoxy(phenyl)mercury; Acetic acid, phenylmercury deriv.; (acetoxymercurio)-benzene; Phenylmercuric acetate [NF]; (acetato-kappaO)(phenyl)mercury; Hexasan, fungicide; MFCD00008691; NCGC00091050-02; Ceresol; Lorophyn; Mercron; Ruberon; Sanitol; Samtol; C.I. Pigment Green 2; DSSTox_CID_1150; Agrosan D; Seed Dressing R; PMA (fungicide); WLN: 1VO-HG-R; DSSTox_RID_75977; Intercide 60; Phenylmercuric acetate (NF); DSSTox_GSID_21150; Verdasan (VAN); Zaprawa Nasienna R; Troysan 30; Hexasan (fungicide); Intercide PMA 18; Troysan PMA 30; Nuodex PMA 18; Mergal A 25; Parasan (bactericide); Caswell No. 656; Phenylquecksilberacetate; Tag (VAN); C8H8HgO2; Fenylmerkuriacetat; Fenylmercuriacetat [Czech]; Fenylmerkuriacetat [Czech]; RCRA waste number P092; CAS-62-38-4; Octan fenylrtutnaty [Czech]; CCRIS 4858; Phenylquecksilberacetat [German]; HSDB 1670; Acetate phenylmercurique [French]; Acetate de phenylmercure; EINECS 200-532-5; NSC 35670; UN1674; RCRA waste no. P092; Acetate de phenylmercure [ISO-French]; EPA Pesticide Chemical Code 066003; Fungitox; Unisan; AI3-14668; Shimmer-ex; Mercury, (acetato-kappaO)phenyl-; Phenylmercury acetate [BSI:ISO]; Cosan PMA; Advacide PMA 18; Mercury, (acetato-.kappa.O)phenyl-; Phenylmercury deriv.; phenylmercuric-acetate; acetato(phenyl)mercury; Nildew AC 30; Phenyl mercurie acetate; Spectrum_000724; Phenylmercury(II)Acetate; Spectrum2_000943; Spectrum3_000779; Spectrum4_000394; Spectrum5_001660; Mergal A25; NCIOpen2_007948; BSPBio_002458; KBioGR_000947; KBioSS_001204; Phenylmercuric acetate, 97%; DivK1c_000286; SPECTRUM1500644; Phenylmercury acetate [Mercury and mercury compounds]; SPBio_000906; Nuodex PMA 18; DTXSID7021150; CHEBI:27684; HMS500O08; jm5b01461, Compound 168; KBio1_000286; KBio2_001204; KBio2_003772; KBio2_006340; KBio3_001678; NINDS_000286; BDBM429351; HMS1921O03; HMS2092E18; Pharmakon1600-01500644; NSC35670; NSC61321; Tag HL-331; Tox21_111068; Tox21_202241; Tox21_300589; 8055AF; CCG-39751; NSC-35670; NSC-61321; NSC757402; AKOS015888302; Tox21_111068_1; NSC-757402; IDI1_000286; NCGC00091050-01; NCGC00091050-03; NCGC00091050-04; NCGC00091050-05; NCGC00091050-06; NCGC00091050-07; NCGC00091050-09; NCGC00164424-01; NCGC00254390-01; NCGC00259790-01; SBI-0051573.P002; Phenylmercuric acetate [UN1674] [Poison]; 2983-EP2301536A1; 2983-EP2301538A1; 2983-EP2311455A1; 2983-EP2316452A1; C11151; D05464; Phenylmercury acetate, purum, >=98.0% (Hg); AB00052136_02; SR-05000001922; Q2364821; SR-05000001922-1
DIG Function
Antimicrobial preservative
PubChem CID
16682730
Formula
C8H8HgO2
Canonical SMILES
CC(=O)O[Hg]C1=CC=CC=C1
InChI
1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
InChIKey
XEBWQGVWTUSTLN-UHFFFAOYSA-M
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=16682730"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 336.74 Topological Polar Surface Area 26.3
XlogP N.A. Complexity 130
Heavy Atom Count 11 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Adenosine receptor A3 (AA3R) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1.4 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID AA3R_HUMAN
            DBT Name: Muscarinic receptor M1 (ACM1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 8.1 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ACM1_HUMAN
            DBT Name: Opioid receptor mu (OPRM1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 3.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID OPRM_HUMAN
            DBT Name: Serotonin receptor 1A (5HT1A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1.9 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID 5HT1A_HUMAN
            DBT Name: Alpha-1A adrenoceptor (ADA1A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 8.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ADA1A_HUMAN
            DBT Name: Alpha-2A adrenoceptor (ADA2A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 2 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ADA2A_HUMAN
            DBT Name: Dopamine D1 receptor (DRD1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 2.2 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DRD1_HUMAN
            DBT Name: Dopamine D3 receptor (DRD3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 0.024 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DRD3_HUMAN
            DBT Name: Histamine H3 receptor (HRH3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 5.2 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID HRH3_HUMAN
            DBT Name: Thromboxane A2 receptor (TBXA2R) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 6.2 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID TA2R_HUMAN
      Oxidoreductase (ORase)
            DBT Name: Gamma-BBH hydroxylase (BBOX1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 2600 nM (estimated based on the structural similarity with CHEMBL39469 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.766666667
                    Tested Species Homo sapiens (Human)
                    UniProt ID BODG_HUMAN
            DBT Name: Monoamine oxidase A (MAO-A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 6.6 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID AOFA_HUMAN
      Transferase (TFase)
            DBT Name: G9a-like protein 1 (EHMT1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 4900 nM (estimated based on the structural similarity with CHEMBL39469 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.766666667
                    Tested Species Homo sapiens (Human)
                    UniProt ID EHMT1_HUMAN
            DBT Name: VEGF-2 receptor (KDR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 22 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID VGFR2_HUMAN
      Hydrolase (HDase)
            DBT Name: Acetylcholinesterase (ACHE) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 5.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ACES_HUMAN
            DBT Name: Phosphodiesterase 4D (PDE4D) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE4D_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Dopamine transporter (DAT) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SC6A3_HUMAN
            DBT Name: Norepinephrine transporter (NET) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SC6A2_HUMAN
            DBT Name: Serotonin transporter (SERT) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 5.1 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SC6A4_HUMAN
            DBT Name: Monoamine transporter VAT2 (VMAT2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 0.36 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID VMAT2_HUMAN
      Transmembrane channel/porin (TC/P)
            DBT Name: Potassium channel Kv11.1 (KCNH2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 6.2 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID KCNH2_HUMAN
      Cell line (CELL)
            DBT Name: Leukemia L1210 cells (L1210) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 3000 nM (estimated based on the structural similarity with CHEMBL39469 ) [4]
                    Structural Similarity Tanimoto coefficient = 0.766666667
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_0382
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 Ejection of structural zinc leads to inhibition of -butyrobetaine hydroxylase. Bioorg Med Chem Lett. 2014 Nov 1; 24(21):4954-7.
3 Inhibition of histone lysine methyltransferases G9a and GLP by ejection of structural Zn(II). Bioorg Med Chem Lett. 2018 Apr 15; 28(7):1234-1238.
4 Phenyl selenones: alkyl transfer by selenium-carbon bond cleavage. J Med Chem. 1990 Jun; 33(6):1544-7.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.