Details of the Drug

General Information of Drug (ID: DM8L7JD)

Drug Name
Zoniporide hydrochloride
Synonyms CP-597396; EMD-392426; Zoniporide hydrochloride < Prop INNM; N''-[5-Cyclopropyl-1-(5-quinolyl)-1H-pyrazol-4-ylcarbonyl]guanidine hydrochloride monohydrate
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 356.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C17H17ClN6O
IUPAC Name
5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
Canonical SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl
InChI
InChI=1S/C17H16N6O.ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H
InChIKey
JTEXNYIOROVPIR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11962997
ChEBI ID
CHEMBL5715927
CAS Number
241800-97-5
TTD ID
D0C8PI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/hydrogen exchanger 1 (SLC9A1) TTGSEFH SL9A1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Zoniporde: a potent and selective inhibitor of the human sodium-hydrogen exchanger isoform 1 (NHE-1). Cardiovasc Drug Rev. 2003 Spring;21(1):17-32.