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Compound Detail

CHEMBL100

LEVCROMAKALIM
🧪 Phase II
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🧪 Phase II
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100
Name LEVCROMAKALIM
Phase Phase II
Structure Type MOL
InChI Key TVZCRIROJQEVOT-CABCVRRESA-N

Known Names

(-)-cromakalim BRL-38227 Levcromakalim
5
Targets
16
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

286.3
MW (Da)
1.75
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -kalim
USAN Year 1993

Extended Properties

Molecular Formula C16H18N2O3
MW 286.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.28

Activity Summary

IC50 13 meas. best 7.0
EC50 2 meas. best 6.79
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.0 6.1483 100.0 6
Rattus norvegicus
CHEMBL376
 EC50 6.79 6.79 162.2 1
Cavia porcellus
CHEMBL369
 IC50 6.52 6.415 300.0 2
Aorta
CHEMBL613606
 IC50 6.49 6.045 323.6 2
Sus scrofa
CHEMBL613488
 IC50 6.44 6.44 360.0 1
Unchecked
CHEMBL612545
 EC50 5.27 5.27 5370.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 100.0 nM 7.0 In vitro inhibition of noradrenaline-induced contractions in rat portal vein 8340916
Rattus norvegicus IC50 = 130.0 nM 6.89 Mechanoinhibitory activity was evaluated by spontaneous contraction of rat porta... 9871599
Rattus norvegicus EC50 = 162.18 nM 6.79 Negative logarithm of the molar concentration required to relax rat aorta precon... -
Rattus norvegicus IC50 = 290.0 nM 6.54 Vasorelaxant effect on KCl-Induced contraction of rat aorta 8809167
Cavia porcellus IC50 = 300.0 nM 6.52 In vitro inhibition of spontaneous tone of guinea pig tracheal spirals 8340916
Aorta IC50 = 323.59 nM 6.49 Vasorelaxant activity in Wistar rat endothelium-denuded aortic rings assessed as... 23662847
Sus scrofa IC50 = 360.0 nM 6.44 Vasorelaxant effect on KCl-Induced contraction of porcine coronary artery 8809167
Cavia porcellus IC50 = 490.0 nM 6.31 Inhibition of spontaneous tone in guinea pig isolated trachealis 2002472
Rattus norvegicus IC50 = 820.0 nM 6.09 Mechanoinhibitory activity was evaluated in KCl stimulated rat detrusor strip 9871599
Aorta IC50 = 2511.89 nM 5.6 Vasorelaxant activity in Wistar rat endothelium-denuded aortic rings assessed as... 23662847
Rattus norvegicus IC50 = 4900.0 nM 5.31 Mechanoinhibitory activity in presence of Glibenclamide (1 uM) was evaluated by ... 9871599
Unchecked EC50 = 5370.32 nM 5.27 Activation of ATP-sensitive potassium channel in human aortic smooth muscle cell... 23662847
Rattus norvegicus IC50 = 8700.0 nM 5.06 Mechanoinhibitory activity in presence of Glibenclamide (1 uM) was evaluated in ... 9871599

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81004-0 Rattus norvegicus 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
9871599 10.1016/s0960-894x(98)00046-8 Rattus norvegicus 4
23662847 10.1021/jm400435a Aorta 4
1447742 10.1021/jm00101a020 Oryctolagus cuniculus 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
8340916 10.1021/jm00067a011 Rattus norvegicus 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
- 10.1016/S0960-894X(97)00027-9 Rattus norvegicus 2
3783581 10.1021/jm00161a011 Rattus norvegicus 2
2002472 10.1021/jm00107a008 Cavia porcellus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
27367033 10.1021/acs.jmedchem.6b00406 ADMET 2
27367033 10.1021/acs.jmedchem.6b00406 Mus musculus 2
23662847 10.1021/jm400435a Unchecked 2
- 10.1016/S0960-894X(01)80836-2 Rattus norvegicus 2
12904071 10.1021/jm030791q NON-PROTEIN TARGET 1
1447742 10.1021/jm00101a020 Rattus norvegicus 1
9871599 10.1016/s0960-894x(98)00046-8 Unchecked 1
8336339 10.1021/jm00066a009 Unchecked 1

Data from ChEMBL 36 via Core Engine