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

General Information of Drug (ID: DR5901)
Drug Name
Tapinarof
Synonyms
Benvitimod|Tapinarof|79338-84-4|3,5-Dihydroxy-4-isopropylstilbene|Vtama|WBI-1001|GSK2894512|3,5-DH4IS|WBI 1001|Tapinarof [USAN]|2-Isopropyl-5-styrylbenzene-1,3-diol|GSK-2894512|3,5-dihydroxy-4-isopropyl-trans-stilbene|5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol|(E)-2-(1-Methylethyl)-5-(2-phenylethenyl)-1,3-benzenediol|UNII-84HW7D0V04|(E)-2-isopropyl-5-styrylbenzene-1,3-diol|84HW7D0V04|Tapinarof (USAN)|115781-08-3|1,3-Benzenediol, 2-(1-methylethyl)-5-[(1E)-2-phenylethenyl]-|1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)-, (E)-|1,3-BENZENEDIOL, 2-(1-METHYLETHYL)-5-((1E)-2-PHENYLETHENYL)-|Benvitimod (Tapinarof)|TAPINAROF [INN]|TAPINAROF [WHO-DD]|SCHEMBL918343|CHEMBL259571|GTPL9686|DTXSID301045262|BCP13569|EX-A4877|(E)-4-Isopropylstilbene-3,5-diol|BDBM50603566|MFCD13193203|s9700|AKOS025296109|DB06083|WB-1001|AC-36567|AS-44364|HY-109044|CS-0031487|D11365|A914284|Q4634086|2-(1-methylethyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol|5-[(1E)-2-phenylethenyl]-2-(propan-2-yl)benzene-1,3-diol|5-[(1E)-2-Phenylethen-1-yl]-2-(propan-2-yl)benzene-1,3-diol|2-(1-METHYLETHYL)-5-((1E)-2-PHENYLETHENYL)-1,3-BENZENEDIOL
Pharmaceutical Properties Molecular Weight 254.32 Topological Polar Surface Area 40.5
Heavy Atom Count 19 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
6439522
Formula
C17H18O2
Canonical SMILES
CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKey
ZISJNXNHJRQYJO-CMDGGOBGSA-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
Tapinarof M2 DM005167 N. A. Unclear 1 [2]
Tapinarof M3 DM005169 N. A. Unclear 2 [2]
Tapinarof M4 DM005168 N. A. Unclear 2 [2]
Tapinarof M3 DM005169 N. A. Unclear 3 [2]
Tapinarof M5 DM005170 N. A. Unclear 3 [2]
Tapinarof M6 DM005171 N. A. Unclear 3 [2]
Tapinarof M5 DM005170 N. A. Unclear 4 [2]
Tapinarof M6 DM005171 N. A. Unclear 4 [2]
Tapinarof M6 DM005171 N. A. Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005586 Tapinarof Tapinarof M2 Unclear Unclear [2]
MR005587 Tapinarof M2 Tapinarof M4 Unclear Unclear [2]
MR005591 Tapinarof M2 Tapinarof M3 Unclear Unclear [2]
MR005588 Tapinarof M4 Tapinarof M3 Unclear Unclear [2]
MR005592 Tapinarof M4 Tapinarof M6 Unclear Unclear [2]
MR005589 Tapinarof M3 Tapinarof M5 Unclear Unclear [2]
MR005590 Tapinarof M5 Tapinarof M6 Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[1]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[1]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[1]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[1]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[1]
References
1 PubChem:Tapinarof
2 Biomimetic Total Synthesis of ()-Carbocyclinone-534 Reveals Its Biosynthetic Pathway

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