Details of the Drug

General Information of Drug (ID: DM9RJH7)

Drug Name
Zaltoprofen
Synonyms
Zaltoprofen (unspecified); Zaltoprofene; Zaltoprofeno; Zaltoprofenum; CN 100; CN-100; Soleton; zaltoprofen; (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid; 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid; 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid; 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid; 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid; 74711-43-6; 89482-00-8; AK-77321; C17H14O3S; EINECS 277-973-5; NCGC00183878-01; Peon
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H14O3S
IUPAC Name
2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
Canonical SMILES
CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O
InChI
MUXFZBHBYYYLTH-UHFFFAOYSA-N
InChIKey
1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
Cross-matching ID
PubChem CID
5720
ChEBI ID
CHEBI:32306
CAS Number
74711-43-6
DrugBank ID
DB06737
INTEDE ID
DR1726
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Substrate [1]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DEB3CV1 UD2B7_HUMAN Substrate [1]
Prostaglandin G/H synthase 1 (COX-1) DE073H6 PGH1_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.