Details of the Drug

General Information of Drug (ID: DM2BDAW)

Drug Name

SK&F-S-106203

Synonyms

SK&F-106203; (S)-beta-[(2-Carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid; 3(S)-[2-(Carboxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Discontinued in Phase 2	[1]
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Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

442.6

Logarithm of the Partition Coefficient (xlogp)

6.9

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C26H34O4S
IUPAC Name: (3S)-3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid
Canonical SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC(=CC=C2)[C@H](CC(=O)O)SCCC(=O)O
InChI: InChI=1S/C26H34O4S/c27-25(28)17-18-31-24(20-26(29)30)23-16-10-15-22(19-23)14-7-4-2-1-3-6-11-21-12-8-5-9-13-21/h5,8-10,12-13,15-16,19,24H,1-4,6-7,11,14,17-18,20H2,(H,27,28)(H,29,30)/t24-/m0/s1
InChIKey: IEOUXQMKLRALNJ-DEOSSOPVSA-N

Cross-matching ID

PubChem CID: 3035514
CAS Number: 129047-98-9
TTD ID: D00AKY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene receptor (LTR)	TTTWGIX	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000042)
2	Pharmacologic and pharmacokinetic profile of SK&F S-106203, a potent, orally active peptidoleukotriene receptor antagonist, in guinea-pig. Pulm Pharmacol. 1991;4(3):177-89.