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Compound Detail

CHEMBL1159

PINACIDIL ANHYDROUS
💊 Approved Drug
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💊 Approved Drug
CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159
Name PINACIDIL ANHYDROUS
Phase Approved
Structure Type MOL
InChI Key IVVNZDGDKPTYHK-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

(r,s)-pinacidil P-1134 Pinacidil anhydrous S-1230
9
Targets
48
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

245.3
MW (Da)
2.35
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1989
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -dil
USAN Year 1984

Extended Properties

Molecular Formula C13H19N5
MW 245.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.20

Activity Summary

IC50 23 meas. best 7.22
EC50 22 meas. best 6.46
Ki 3 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.22 6.44 59.6 11
Sulfonylurea receptor 2, Kir6.2
CHEMBL2095198
 Ki 6.5 6.5 320.0 1
Unchecked
CHEMBL612545
 EC50 6.46 5.1467 350.0 6
Aorta
CHEMBL613606
 EC50 6.46 6.46 350.0 1
Thoracic aorta
CHEMBL2367449
 EC50 6.41 5.1833 390.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.21 5.61 620.0 2
Rattus norvegicus
CHEMBL376
 EC50 6.14 6.14 724.4 7
Cavia porcellus
CHEMBL369
 EC50 5.8 5.8 1584.9 2
ATP-binding cassette sub-family C member 9
CHEMBL1971
 EC50 5.45 5.45 3540.0 1
Cavia porcellus
CHEMBL369
 IC50 5.44 5.24 3630.0 2
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9333 10000.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.98 4.675 10400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 59.6 nM 7.22 Inhibitory concentration against methoxamine-induced contractions in rat aorta 9464357
Rattus norvegicus IC50 = 63.1 nM 7.2 Concentration required to cause 50% inhibition of spontaneous activity in rat po... 1613756
Rattus norvegicus IC50 = 70.0 nM 7.16 Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... -
Rattus norvegicus IC50 = 70.0 nM 7.16 Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... -
Sulfonylurea receptor 2, Kir6.2 Ki = 320.0 nM 6.5 Binding affinity was determined by displacement of [3H]P1075 from its binding si... 9464357
Unchecked EC50 = 350.0 nM 6.46 Channel opening activity at KATP channel in Wistar rat endothelium-denuded aorti... 19822435
Rattus norvegicus IC50 = 350.0 nM 6.46 Inhibitory concentration against rat vascular smooth muscle tissue 15658874
Aorta EC50 = 350.0 nM 6.46 Myorelaxant activity in potassium depolarized Wistar rat aorta rings assessed as... 18406154
Rattus norvegicus IC50 = 380.0 nM 6.42 Compound was tested for vasorelaxant activity on the basis of ability to relax e... 8027980
Thoracic aorta EC50 = 390.0 nM 6.41 Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic rings ass... 27031211
Rattus norvegicus IC50 = 500.0 nM 6.3 In vitro inhibition of 30 mM KCl-induced contraction of rat aorta rings. 11472211
NON-PROTEIN TARGET EC50 = 620.0 nM 6.21 Myorelaxant effect in KCl-induced precontracted rat aorta ring VSMC 21428460
Rattus norvegicus IC50 = 630.0 nM 6.2 In vitro inhibitory concentration that relaxes KCL induced contraction in rat de... 10737752
Rattus norvegicus EC50 = 724.44 nM 6.14 Negative logarithm of the molar concentration required to relax rat aorta precon... -
Rattus norvegicus EC50 = 724.44 nM 6.14 Negative logarithm of the molar concentration required to relax rat aorta precon... -
Rattus norvegicus EC50 = 724.44 nM 6.14 Spontaneous relaxant activity in rat aorta precontracted with 30 mM KCl -
Rattus norvegicus EC50 = 724.44 nM 6.14 Negative logarithm of the molar concentration of compound required to relax rat ... -
Rattus norvegicus EC50 = 724.44 nM 6.14 Negative logarithm of the molar concentration required to relax rat aorta precon... -
Rattus norvegicus EC50 = 724.44 nM 6.14 Relaxation of rat aorta smooth muscle precontracted with 30 mM KCl (Negative log... -
Rattus norvegicus EC50 = 724.44 nM 6.14 Tested for relaxation of rat aorta smooth muscle precontracted with 30 mM KCI by... -

Literature References

PubMed DOI Target Context # Activities
691003 10.1021/jm00206a011 Rattus norvegicus 12
8027980 10.1021/jm00039a011 Rattus norvegicus 11
691003 10.1021/jm00206a011 Canis familiaris 10
10780901 10.1021/jm991069o Rattus norvegicus 10
11472211 10.1021/jm0004648 Rattus norvegicus 7
12852765 10.1021/jm021117w Rattus norvegicus 7
- 10.1007/s00044-008-9129-9 Potassium channel protein 7
17590241 10.1016/j.ejmech.2007.04.012 Stomach 6
- 10.1016/S0960-894X(00)80662-9 Rattus norvegicus 5
- 10.1016/S0960-894X(00)80661-7 Rattus norvegicus 5
19101153 10.1016/j.bmc.2008.11.055 Unchecked 4
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 4
21428460 10.1021/jm200100c Unchecked 4
21428460 10.1021/jm200100c NON-PROTEIN TARGET 4
- 10.1016/0960-894X(96)00397-6 Unchecked 3
20014752 10.1021/tx900326k Hepatotoxicity 3
19822435 10.1016/j.bmc.2009.09.041 Unchecked 3
22647221 10.1016/j.ejmech.2012.05.011 NON-PROTEIN TARGET 3
19734910 10.1038/nchembio.215 Plasmodium falciparum 3
15658874 10.1021/jm040789e Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine