Details of the Drug

General Information of Drug (ID: DM759KX)

Drug Name

S-14080

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

241.31

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H11NOS
IUPAC Name: 2,3-dihydro-1,3-benzothiazol-6-yl(phenyl)methanone
Canonical SMILES: C1NC2=C(S1)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C14H11NOS/c16-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-15-12/h1-8,15H,9H2
InChIKey: BSJCMEIUFYPGNL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	S14080, a peripheral analgesic acting by release of an endogenous circulating opioid-like substance. Br J Pharmacol. 1995 Jan;114(2):303-8.
2	US patent application no. 7,022,689, 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor.