Chemical Component Summary | |
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Name | S-WARFARIN |
Identifiers | 4-hydroxy-3-[(1S)-3-oxo-1-phenyl-butyl]chromen-2-one |
Formula | C19 H16 O4 |
Molecular Weight | 308.328 |
Type | NON-POLYMER |
Isomeric SMILES | CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O |
InChI | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1 |
InChIKey | PJVWKTKQMONHTI-HNNXBMFYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 1 |
Bond Count | 41 |
Aromatic Bond Count | 17 |
Drug Info: DrugBank
DrugBank ID | DB14055? |
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Name | (S)-Warfarin |
Groups |
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Description | Warfarin consists of a racemic mixture of two active enantiomers¡ªR- and S- forms¡ªeach of which is cleared by different pathways. S-warfarin is 2-5 times more potent than the R-isomer in producing an anticoagulant response.[A7166] |
Synonyms |
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Categories |
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CAS number | 5543-57-7 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate |
Cytochrome P450 2C8 | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI... | unknown | substrate |
Cytochrome P450 2C9 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI... | unknown | substrate |
Cytochrome P450 2C18 | MDPAVALVLCLSCLFLLSLWRQSSGRGRLPSGPTPLPIIGNILQLDVKDM... | unknown | substrate |
Cytochrome P450 2C19 | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV... | unknown | substrate |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 54688261 |
ChEMBL | CHEMBL251074 |
ChEBI | CHEBI:87738 |
CCDC/CSD | BAFYOA |