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Compound Detail

CHEMBL398879

(R)-PINACIDIL
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C[C@@H](N/C(=N/c1ccncc1)NC#N)C(C)(C)C

Basic Information

ChEMBL ID CHEMBL398879
Name (R)-PINACIDIL
Phase Preclinical
Structure Type MOL
InChI Key IVVNZDGDKPTYHK-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.16
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H19N5
MW 245.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 7.47 7.47 33.9 1

Pharmacokinetic Data

Parameter Value Units Species
F 57.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 33.88 nM 7.47 Concentration required to cause 50% inhibition of spontaneous activity in rat po... 1613756

Literature References

PubMed DOI Target Context # Activities
1613756 10.1021/jm00090a025 Rattus norvegicus 2
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1

Data from ChEMBL 36 via Core Engine