Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1938)
Drug Name
Anthraflavic acid
Synonyms
APAJFZPFBHMFQR-UHFFFAOYSA-N; Anthraflavic acid; Anthraflavin; Anthrafravic acid; Anthraquinone, 2,6-dihydroxy-; W83883330W; 2,6-DIHYDROXY-ANTHRAQUINONE; 2,6-Dihydroxyanthra-9,10-quinone; 2,6-Dihydroxyanthraquinone; 2,6-dihydroxy-9,10-anthracenedione; 2,6-dihydroxy-9,10-anthraquinone; 2,6-dihydroxyanthracene-9,10-dione; 84-60-6; 9,10-Anthracenedione, 2,6-dihydroxy-; AK-86236; Az-F; BRN 2054127; CCRIS 5593; CHEBI:34250; CHEMBL298398; EINECS 201-544-3; MFCD00001228; NSC-33531; UNII-W83883330W
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 240.21 Topological Polar Surface Area 74.6
Heavy Atom Count 18 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6776
ChEBI ID
CHEBI:34250
CAS Number
84-60-6
Formula
C14H8O4
Canonical SMILES
C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
InChI
1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
InChIKey
APAJFZPFBHMFQR-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007485 Anthraflavic acid Unclear Unclear UGT1A1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Km = 0.01 microM
UD11_HUMAN
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Km = 0.01 microM
UD17_HUMAN
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Km = 0.01 microM
UD18_HUMAN
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Km = 0.01 microM
UD19_HUMAN
[2]
References
1 2,6Dihydroxy-anthraquinone: an isomer of the well known alizarin dye. Acta Crystallographica, 2006, 62(10).
2 Differential and special properties of the major human UGT1-encoded gastrointestinal UDP-glucuronosyltransferases enhance potential to control chemical uptake. J Biol Chem. 2004 Jan 9;279(2):1429-41.

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