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]

• #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]

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.