Details of the Drug

General Information of Drug (ID: DMQXPJB)

Drug Name

Ki-1769

Synonyms

Ki-1769; Ki 1769; AC1L2ZHG; ki1769; SCHEMBL9214494; SCHEMBL6377119; CHEMBL310746; SUPZSNPDPSPMTK-UHFFFAOYSA-N; N-CYANO-N'-(2-PHENYLETHYL)-3-PYRIDINECARBOXIMIDAMIDE; N-cyano-N'-phenethylpyridine-3-carboximidamide; 3-Pyridinecarboximidamide, N-cyano-N'-(2-phenylethyl)-

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

250.3

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H14N4
IUPAC Name: N-cyano-N'-(2-phenylethyl)pyridine-3-carboximidamide
Canonical SMILES: C1=CC=C(C=C1)CCN=C(C2=CN=CC=C2)NC#N
InChI: InChI=1S/C15H14N4/c16-12-19-15(14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H,18,19)
InChIKey: SUPZSNPDPSPMTK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 131608
CAS Number: 133300-00-2
TTD ID: D0C8DC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Opener	[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 800002625)
2	Vasorelaxant action of Ki1769, a new pyridinecarboximidamide, in isolated porcine coronary artery. Eur J Pharmacol. 1993 Sep 14;241(2-3):177-81.