Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E03YBG)
DIG Name
Creatinine
Synonyms    Click to Show/Hide the Synonyms of This DIG
60-27-5; 2-Imino-1-methylimidazolidin-4-one; 1-Methylglycocyamidine; 1-Methylhydantoin-2-imide; 2-amino-1-methylimidazolin-4-one; Kreatinin; 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one; 2-Imino-N-methylhydantoin; Creatine anhydride; 2-Amino-1-methyl-2-imidazolin-4-one; CHEBI:16737; 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one; Creatinine, 98%; NSC-13123; NCGC00095762-01; DSSTox_CID_25987; DSSTox_RID_81274; DSSTox_GSID_45987; 4H-Imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-; CAS-60-27-5; creatinina; Spectrum_000429; Spectrum2_000764; Spectrum3_001717; Spectrum4_001806; Spectrum5_000511; bmse000155; bmse000789; bmse001001; SCHEMBL16295; BSPBio_003334; KBioGR_002415; KBioSS_000909; MLS001306430; CHEMBL65567; DivK1c_000351; SPECTRUM1600300; SPBio_000808; Creatinine, anhydrous, >=98%; HMS501B13; KBio1_000351; KBio2_000909; KBio2_003477; KBio2_006045; KBio3_002554; NINDS_000351; Creatinine, 98.5-102.0%; HMS2233P20; HMS3372L11; Pharmakon1600-01600300; ZINC967189; Tox21_111516; BBL009279; CCG-40153; KM0389; NSC760435; s3102; STK530885; STL268897; 2-Imino-1-methyl-imidazolidin-4-one; AKOS000121140; AKOS005458367; Tox21_111516_1; 2-Imino-1-methyl-4-imidazolidinone #; Creatinine, NIST(R) SRM(R) 914a; MCULE-8832153777; NSC-760435; SDCCGMLS-0066864.P001; IDI1_000351; NCGC00095762-02; NCGC00095762-04; NCGC00247664-01; 4H-Imidazol-4-one,5-dihydro-1-methyl-; AS-12671; SMR000718791; AB0012307; 2-Amino-1-methyl-1,5-dihydroimidazol-4-one; 2-amino-1-methyl-1,5-dihydro-imidazol-4-one; C00791; D03600; 92630-EP2277858A1; 92630-EP2292227A2; 92630-EP2295053A1; 92630-EP2305653A1; AB00052404_03; AB00052404_04; 059C730; 2-amino-4,5-dihydro-1-methyl-1H-imidazol-4-one; 2-Imino-1,5-dihydro-1-methyl-4H-imidazol-4-one; SR-01000837526; SR-01000837526-3; W-203248; F0001-1578; C5CF605C-9352-48F2-A5A4-561B97D42C30; Creatinine, United States Pharmacopeia (USP) Reference Standard; Creatinine, Pharmaceutical Secondary Standard; Certified Reference Material; Creatinine solution, 2.0 mg/mL in methanol: water (1:1), certified reference material, ampule of 1 mL
DIG Function
Other agent
PubChem CID
588
Formula
C4H7N3O
Canonical SMILES
CN1CC(=O)N=C1N
InChI
1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N
   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=588"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 113.12 Topological Polar Surface Area 58.7
XlogP -1.8 Complexity 151
Heavy Atom Count 8 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Olfactory receptor 51E2 (OR51E2) 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 = 0.0076 nM (estimated based on the structural similarity with CHEMBL2447922 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.755555556
                    Tested Species Homo sapiens (Human)
                    UniProt ID O51E2_HUMAN
References
1 US patent application no. 20180116992A1, Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same.

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