General Information of the Compound
Compound ID
CP0021671
Compound Name
CAS_85371-64-8
    Show/Hide
Synonyms
(+-)-Pinacidil
(+/-)-N-Cyano-N'-4-pyridinyl-N"-(1,2,2-trimethylpropyl)guanidine
(R,S)-Pinacidil
(inverted question mark)-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-guanidine
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine
2-Cyano-3-(4-pyridinyl)-1-(1,2,2-trimethylpropyl)guanidine
2-Cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)guanidine monohydrate
Guanidine, 2-cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)-, monohydrate
Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, monohydrate
N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)guanidine
P 1134
P-154
Pinacidil
Pinacidil (anhydrous)
Pinacidilum
Pinacidilum [INN-Latin]
S 1230
S-1230
    Show/Hide
Structure
Formula
C13H19N5
Molecular Weight
245.33
Canonical SMILES
CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C
    Show/Hide
InChI
InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
    Show/Hide
InChIKey
IVVNZDGDKPTYHK-UHFFFAOYSA-N
CAS
113563-69-2
Physicochemical Property
logP
2.35478
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
73.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4826
SID: 14892701
ChEMBL ID
CHEMBL1159
DrugBank ID
DB06762
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06087, ATP-binding cassette sub-family C member 9
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000005 TE 671
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3540 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pinacidil )
Drug Name Pinacidil
Indication
High blood pressure
Approved