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
InChI=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)
InChIKey
MUXFZBHBYYYLTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5720
ChEBI ID
CHEMBL32306
CAS Number
74711-43-6
UNII
H8635NG3PY
DrugBank ID
DB06737
INTEDE ID
DR1726
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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.