Details of the Drug

General Information of Drug (ID: DMUH0KO)

Drug Name
Palonidipine hydrochloride
Synonyms Palonidipine; TC-81
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Preregistration [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 576.1
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 11
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C29H35ClFN3O6
IUPAC Name
5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Canonical SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl
InChI
InChI=1S/C29H34FN3O6.ClH/c1-18-24(27(34)38-6)26(22-14-21(33(36)37)12-13-23(22)30)25(19(2)31-18)28(35)39-17-29(3,4)16-32(5)15-20-10-8-7-9-11-20;/h7-14,26,31H,15-17H2,1-6H3;1H
InChIKey
OQHXRVQARZHYGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
119153
CAS Number
96515-74-1
TTD ID
D06LDC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium channel unspecific (CaC) TT5HONZ NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) 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 800001157)
2 Effect of palonidipine hydrochloride (TC-81), a novel calcium antagonist, on the canine coronary artery. Nihon Yakurigaku Zasshi. 1993 Jul;102(1):23-33.