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

General Information of Drug (ID: DR5010)
Drug Name
Clazosentan
Synonyms
Clazosentan; 180384-56-9; Ro-61-1790; VML-588; UNII-3DRR0X4728; AXV-343434; CHEMBL109648; 3DRR0X4728; Clazosentan [INN]; VML 588; AXV 034; AXV-034343; Ro 61-1790; AXV-034; AXV 034343; AC1O5FK3; SCHEMBL1652657; CTK4D7597; DTXSID60170955; ZINC3939238; BDBM50066370; AKOS032946377; SB18855; N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2-[2-(2H-TETRAZOL-5-YL)-4-PYRIDINYL]-4-PYRIMIDINYL]-5-METHYL-2-PYRIDINESULFONAMIDE; DB-065318; FT-0765561
Indication Cerebral vasospasm [ICD11: BA85] Phase 3 [1]
Vasospasm [ICD11: ICD11: 9B74] Discontinued in Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 577.6 Topological Polar Surface Area 209
Heavy Atom Count 41 Rotatable Bond Count 11
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
6433095
CAS Number
180384-56-9
TTD Drug ID
D0H2RJ
Formula
C25H23N9O6S
Canonical SMILES
CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC
InChI
InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)
InChIKey
LFWCJABOXHSRGC-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Clazosentan M1 PDM010281 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Clazosentan M2 PDM010282 N. A. Conjugation - N-Glucuronidation of sulfonamide 1 Human
Clazosentan M3 PDM010283 N. A. Conjugation - N-Glucuronidation of 3-substituted pyridine 1 Human
Clazosentan M4 PDM010284 N. A. Conjugation - Sulfation of primary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[3]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017374)
3 Clinical Pharmacology of Clazosentan, a Selective Endothelin A Receptor Antagonist for the Prevention and Treatment of aSAH-Related Cerebral Vasospasm

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