Details of the Drug

General Information of Drug (ID: DMJOM31)

• Drug Name: ELGODIPINE HYDROCHLORIDE
• Synonyms: IQB-875; Elgodipine hydrochloride; Rac-2,6-Dimethyl-4-(2,3-methylenedioxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-[N-(4-fluorobenzyl)-N-methylamino]ethyl] diester monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 561
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 11
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 9
• Chemical Identifiers:
  Formula: C29H34ClFN2O6
  IUPAC Name: 3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
  Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)OCO3)C(=O)OCCN(C)CC4=CC=C(C=C4)F.Cl
  InChI: InChI=1S/C29H33FN2O6.ClH/c1-17(2)38-29(34)25-19(4)31-18(3)24(26(25)22-7-6-8-23-27(22)37-16-36-23)28(33)35-14-13-32(5)15-20-9-11-21(30)12-10-20;/h6-12,17,26,31H,13-16H2,1-5H3;1H
  InChIKey: JBKDMKOYLBVOOR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3078492
  CAS Number: 121489-04-1
  TTD ID: D0HQ3A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Agonist	[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 800000324)
• [2] The calcium channel blocker amlodipine exerts its anti-proliferative action via p21(Waf1/Cip1) gene activation. FASEB J. 2004 Oct;18(13):1516-23.