Details of the Drug

General Information of Drug (ID: DMP8MBW)

Drug Name

IGANIDIPINE HYDROCHLORIDE

Synonyms

NKY-722; Iganidipine hydrochloride; Rac-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-[3-(4-allyl-1-piperazinyl)-2,2-dimethylpropyl] 5-methyl diester dihydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

599.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

11

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C28H40Cl2N4O6
IUPAC Name: 5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride
Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCN(CC2)CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl.Cl
InChI: InChI=1S/C28H38N4O6.2ClH/c1-7-11-30-12-14-31(15-13-30)17-28(4,5)18-38-27(34)24-20(3)29-19(2)23(26(33)37-6)25(24)21-9-8-10-22(16-21)32(35)36;;/h7-10,16,25,29H,1,11-15,17-18H2,2-6H3;2*1H
InChIKey: PJGTYHKZUAHNHC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 164031
CAS Number: 117241-46-0
TTD ID: D07JHJ

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]

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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 800000292)
2	Improving effects of topical administration of iganidipine, a new calcium channel blocker, on the impaired visual evoked potential after endothelin-1 injection into the vitreous body of rabbits. CurrEye Res. 2000 Feb;20(2):101-8.