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

Indication

Disease Entry	ICD 11	Status	REF
Anaesthesia	9A78.6	Phase 4	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

298.4

Topological Polar Surface Area (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

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	[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7)	DEB3CV1	UD2B7_HUMAN	Substrate	[2]
Prostaglandin G/H synthase 1 (COX-1)	DE073H6	PGH1_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Zaltoprofen launched in japan.
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