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) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
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
CHEMBL11458
CAS Number
60559-98-0
TTD ID
D00LWF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Opener [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 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.