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

General Information of Drug (ID: DR1713)
Drug Name
Voxelotor
Synonyms
Voxelotor; Voxelotor (USAN); Voxelotor [USAN]; Voxelotor(GBT440, GTx011); ZINC145969085; DA-44587; FWCVZAQENIZVMY-UHFFFAOYSA-N; GBT 440; GBT-440; GBT440; Hemoglobin Modulators-1; SB19656; 1446321-46-5; 2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde; 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]benzaldehyde; 3ZO554A4Q8; AK547400; BCP20182; BDBM50235297; CHEMBL4101807; CS-5317; D11330; EX-A2980; FT-0702904; GTX-011; HY-18681; S8540; SCHEMBL15065529; UNII-3ZO554A4Q8
Indication Sickle-cell anaemia [ICD11: 3A51] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 337.4 Topological Polar Surface Area 77.2
Heavy Atom Count 25 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
71602803
CAS Number
1446321-46-5
TTD Drug ID
D09RII
Formula
C19H19N3O3
Canonical SMILES
CC(C)N1C(=CC=N1)C2=C(C=CC=N2)COC3=CC=CC(=C3C=O)O
InChI
1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
InChIKey
FWCVZAQENIZVMY-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. Conjugation - Glucuronidation 1 [3]
Unclear DM009999 N. A. Oxidation - Oxidationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005675 Voxelotor Unclear Oxidation - Oxidationn CYP3A5 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[3]
⏷ Show the Full List of 7  DME(s)
References
1 Voxelotor was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Fedratinib. The 2020 official website of the U.S. Food and Drug Administration.
3 FDA Approved Drug Products:Oxbryta (voxelotor) tablets

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