Details of the Drug

General Information of Drug (ID: DM02ANM)

Drug Name

P-1075

Synonyms

60559-98-0; P1075; N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridylguanidine; P-1075; BRN 0480738; 2-Cyano-1-tert-pentyl-3-(3-pyridyl)guanidine; CHEMBL11458; Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl-; N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine; P 1075; GUANIDINE, 2-CYANO-1-tert-PENTYL-3-(3-PYRIDYL)-; Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl- [CAS]; SMR000466288; Tocris-1355; AC1L29NR; MLS000758317; MLS001424147; SCHEMBL2129487; SCHEMBL8747731; BDBM86250; CTK8J5792; CTK2F3712

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

231.3

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H17N5
IUPAC Name: 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
Canonical SMILES: CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1
InChI: InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKey: HKZNADVVGXKQDL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 43345
ChEBI ID: CHEBI:92004
CAS Number: 60559-98-0
TTD ID: D00LWF

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]

------------------------------------------------------------------------------------

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 800001364)
2	The effects of potassium channel opener P1075 on the human saphenous vein and human internal mammary artery. J Cardiovasc Pharmacol. 2011 Jun;57(6):648-55.