Details of the Drug

General Information of Drug (ID: DMPUED3)

• Drug Name: S-12968
• Synonyms: Olradipine; Pranedipine; (-)-S 12968

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 637.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 16
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 14
• Chemical Identifiers:
  Formula: C26H34Cl2N2O12
  IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;3-O-ethyl 5-O-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
  Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCOCCN.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
  InChI: InChI=1S/C22H28Cl2N2O6.C4H6O6/c1-4-32-22(28)19-16(12-31-11-10-30-9-8-25)26-13(2)17(21(27)29-3)18(19)14-6-5-7-15(23)20(14)24;5-1(3(7)8)2(6)4(9)10/h5-7,18,26H,4,8-12,25H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
  InChIKey: LKFLYCNXQSCXIV-LREBCSMRSA-N
• Cross-matching ID:
  PubChem CID: 6918192
  TTD ID: D0G2XN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Blocker	[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 800000221)
• [2] (+)-S-12967 and (-)-S-12968: 1,4-dihydropyridine stereoisomers with calcium channel agonistic and antagonistic properties in rat resistance arteries. Br J Pharmacol. 1991 Jul;103(3):1703-8.