Details of the Drug

General Information of Drug (ID: DMN1YFU)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 240.21
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H8O4
IUPAC Name
2,6-dihydroxyanthracene-9,10-dione
Canonical SMILES
C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
InChI
APAJFZPFBHMFQR-UHFFFAOYSA-N
InChIKey
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
Cross-matching ID
PubChem CID
6776
ChEBI ID
CHEBI:34250
CAS Number
84-60-6
INTEDE ID
DR1938

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DEYGVN4 UD11_HUMAN Substrate [1]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DE85D2P UD19_HUMAN Substrate [1]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DE2GB8N UD18_HUMAN Substrate [1]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DEZO4N3 UD17_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Albumin (ALB) OTVMM513 ALBU_HUMAN Protein Interaction/Cellular Processes [2]
Cytochrome P450 1A1 (CYP1A1) OTE4EFH8 CP1A1_HUMAN Gene/Protein Processing [3]
Cytochrome P450 1B1 (CYP1B1) OTYXFLSD CP1B1_HUMAN Gene/Protein Processing [3]
UDP-glucuronosyltransferase 1A1 OTH1C8OJ UD11_HUMAN Biotransformations [4]
UDP-glucuronosyltransferase 1A10 OTOTZVEY UD110_HUMAN Biotransformations [1]
UDP-glucuronosyltransferase 1A7 OTY4JJ32 UD17_HUMAN Biotransformations [1]
UDP-glucuronosyltransferase 1A8 OTTMABBG UD18_HUMAN Biotransformations [1]
UDP-glucuronosyltransferase 1A9 OTPCHAFX UD19_HUMAN Biotransformations [1]
UDP-glucuronosyltransferase 2B15 OTABTFU2 UDB15_HUMAN Regulation of Drug Effects [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.
2 Interaction of anthracene and its oxidative derivatives with human serum albumin. Acta Biochim Pol. 2006;53(1):101-12. Epub 2006 Jan 9.
3 Induction of cytochromes P450 1A1 and 1B1 by emodin in human lung adenocarcinoma cell line CL5. Drug Metab Dispos. 2001 Sep;29(9):1229-35.
4 The effect of incubation conditions on the enzyme kinetics of udp-glucuronosyltransferases. Drug Metab Dispos. 2003 Jun;31(6):762-7. doi: 10.1124/dmd.31.6.762.
5 Stable expression of a human liver UDP-glucuronosyltransferase (UGT2B15) with activity toward steroid and xenobiotic substrates. Drug Metab Dispos. 1994 Sep-Oct;22(5):799-805.