Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0D8PK)
DIG Name
Diiodofluorescein
Synonyms    Click to Show/Hide the Synonyms of This DIG
4',5'-Diiodofluorescein; 4'5'-Diiodofluorescein; C.I. Solvent Red 73; 38577-97-8; UNII-OO2GYZ1574; OO2GYZ1574; 3',6'-dihydroxy-4',5'-diiodospiro[2-benzofuran-3,9'-xanthene]-1-one; D&C Orange no. 10; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-4',5'-diiodo-; 11740 Orange; D & C Orange No. 10; CCRIS 4901; Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-4',5'-diiodo-; EINECS 254-010-7; Hydroxydiiodo-o-carboxyphenylfluorone; C.I. 45425A; SCHEMBL112918; DTXSID0044238; ZINC5224800; MFCD00005045; AKOS024387387; MCULE-8205231931; 3',6'-Dihydroxy-4',5'-diiodospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one; ST51039969; Q27285749; UNII-YUW2S48521 component DSVUBXQDJGJGIC-UHFFFAOYSA-N; 12,15-dihydroxy-13,14-diiodospiro[3-hydroisobenzofuran-3,9'-xanthene]-1-one
DIG Function
Colorant
PubChem CID
92311
Formula
C20H10I2O5
Canonical SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O
InChI
1S/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
DSVUBXQDJGJGIC-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=92311"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 584.1 Topological Polar Surface Area 76
XlogP 4.7 Complexity 585
Heavy Atom Count 27 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Sinequan
 API Info
Major depressive disorder [ICD-11: 6A70]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Arginine methyltransferase 1 (PRMT1) 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 = 75000 nM (estimated based on the structural similarity with CHEMBL177756 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.898648649
                    Tested Species Homo sapiens (Human)
                    UniProt ID ANM1_HUMAN
References
1 FDA label for approved sinequan from the official website of the U.S. Food and Drug Administration.
2 Small molecule inhibitors of histone arginine methyltransferases: homology modeling, molecular docking, binding mode analysis, and biological evaluations. J Med Chem. 2007 Mar 22; 50(6):1241-53.

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