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]
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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
CAS Number: 241800-97-5
TTD ID: D0C8PI

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.