Details of the Drug

General Information of Drug (ID: DMT8IGE)

Drug Name
NP-252
Synonyms 3-(Cyclopropylcarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid octyl ester
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 469.6
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C26H35N3O5
IUPAC Name
octyl 5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Canonical SMILES
CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CC3)C)C
InChI
InChI=1S/C26H35N3O5/c1-4-5-6-7-8-11-16-34-26(31)23-18(3)27-17(2)22(25(30)28-19-14-15-19)24(23)20-12-9-10-13-21(20)29(32)33/h9-10,12-13,19,24,27H,4-8,11,14-16H2,1-3H3,(H,28,30)
InChIKey
IAWVGADTHVEXRD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131462
CAS Number
132031-81-3
TTD ID
D08AFD
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 Blocker [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 800000291)
2 Pharmacological characteristics of NP-252, a new dihydropyridine slow Ca2+ channel blocker, in isolated rabbit vascular smooth muscle and guinea pig myocardium: vascular selectivity. Eur J Pharmacol.1991 Oct 22;203(3):337-44.