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Compound Detail

CHEMBL49035

CROMAKALIM
🧪 Phase II
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🧪 Phase II
CC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49035
Name CROMAKALIM
Phase Phase II
Structure Type MOL
InChI Key TVZCRIROJQEVOT-UHFFFAOYSA-N

Known Names

BRL-34915 BRL34915 Cromakalim Levcromakalim (+/-)-form
10
Targets
47
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
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 Racemic
USAN Stem -kalim

Extended Properties

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

Activity Summary

EC50 25 meas. best 6.89
IC50 21 meas. best 7.7
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 IC50 7.7 6.97 20.0 2
Rattus norvegicus
CHEMBL376
 IC50 7.5 7.313 32.0 10
Aorta
CHEMBL613606
 IC50 7.01 7.01 97.7 2
Thoracic aorta
CHEMBL2367449
 EC50 6.89 5.6767 130.0 3
Rattus norvegicus
CHEMBL376
 EC50 6.89 6.7913 130.0 8
Unchecked
CHEMBL612545
 EC50 6.89 5.5567 130.0 3
Aorta
CHEMBL613606
 EC50 6.89 6.89 130.0 2
Sus scrofa
CHEMBL613488
 EC50 6.59 6.59 257.0 1
Oryctolagus cuniculus
CHEMBL374
 EC50 6.58 6.58 263.0 1
Oryctolagus cuniculus
CHEMBL374
 IC50 6.38 6.38 420.0 1
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 6.37 6.35 425.0 3
Cavia porcellus
CHEMBL369
 IC50 6.22 6.012 600.0 5
Sus scrofa
CHEMBL613488
 IC50 6.16 6.16 700.0 1
Cavia porcellus
CHEMBL369
 EC50 6.07 6.07 851.1 1
ATP-binding cassette sub-family C member 9
CHEMBL1971
 EC50 5.9 5.9 1250.0 1
Canis familiaris
CHEMBL373
 EC50 5.71 5.71 1960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels IC50 = 20.0 nM 7.7 Contraction and relaxation of guinea pig portal vein with KCl and glibenclamide ... 8917648
Rattus norvegicus IC50 = 32.0 nM 7.5 Vasorelaxant potency determined by measurement of IC50 value for relaxation of r... 9016325
Rattus norvegicus IC50 = 32.0 nM 7.5 Vasorelaxant potency determined by inhibition of methoxamine-contracted rat aort... 8254626
Rattus norvegicus IC50 = 32.0 nM 7.5 In vitro relaxation of rat aorta precontracted with methoxamine. 10479302
Rattus norvegicus IC50 = 32.0 nM 7.5 Tested for the vasorelaxant potency in methoxamine contracted rat aorta 7650676
Rattus norvegicus IC50 = 32.0 nM 7.5 Vasorelaxant potency was assessed by measurement of inhibition of methoxamine-co... 7783128
Rattus norvegicus IC50 = 55.0 nM 7.26 Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... -
Rattus norvegicus IC50 = 55.0 nM 7.26 Vasorelaxant potency by relaxation of the methoxamine contracted rat aorta -
Rattus norvegicus IC50 = 55.0 nM 7.26 Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... -
Aorta IC50 = 97.72 nM 7.01 Vasorelaxation activity on KCl-induced contractile tone in Wistar rat thoracic a... 17181142
Aorta IC50 = 97.72 nM 7.01 Vasorelaxation activity in Wistar rat thoracic aortic ring assessed as inhibitio... 18925735
Rattus norvegicus IC50 = 110.0 nM 6.96 Compound was tested for vasorelaxant activity on the basis of ability to relax e... 8027980
Aorta EC50 = 130.0 nM 6.89 Myorelaxant activity in potassium depolarized Wistar rat aorta rings assessed as... 18406154
Rattus norvegicus IC50 = 130.0 nM 6.89 Inhibitory concentration against rat vascular smooth muscle tissue 15658874
Rattus norvegicus EC50 = 130.0 nM 6.89 Myorelaxant activity against KCL-induced contraction of Wistar rat aortic rings 16854075
Unchecked EC50 = 130.0 nM 6.89 Channel opening activity at KATP channel in Wistar rat endothelium-denuded aorti... 19822435
Thoracic aorta EC50 = 130.0 nM 6.89 Myorelaxant activity in endothelium-free rat thoracic aorta assessed as inhibiti... 24763361
Aorta EC50 = 130.0 nM 6.89 Myorelaxant activity in aortic rings isolated from Wistar rat assessed as reduct... 27267004
Rattus norvegicus EC50 = 150.0 nM 6.82 Tested for effective concentration required to relax contraction induced by 30 m... -
Rattus norvegicus EC50 = 169.82 nM 6.77 Negative logarithm of the molar concentration of compound required to relax rat ... -

Literature References

PubMed DOI Target Context # Activities
8917648 10.1021/jm960365n Rattus norvegicus 9
17181142 10.1021/jm061228l Rattus norvegicus 9
24763361 10.1016/j.ejmech.2014.04.024 Thoracic aorta 8
8496916 10.1021/jm00062a022 Rattus norvegicus 8
15658874 10.1021/jm040789e Rattus norvegicus 7
28850227 10.1021/acs.jmedchem.7b00315 Rattus norvegicus 6
- 10.1016/S0960-894X(00)80661-7 Rattus norvegicus 5
- 10.1016/S0960-894X(00)80662-9 Rattus norvegicus 5
18925735 10.1021/jm800956g Rattus norvegicus 4
16854075 10.1021/jm060161z Pancreatic beta cell 4
19101153 10.1016/j.bmc.2008.11.055 Unchecked 4
2391705 10.1021/jm00171a051 Rattus norvegicus 3
1920358 10.1021/jm00114a017 Oryctolagus cuniculus 3
12031324 10.1016/s0960-894x(02)00207-x Sulfonylurea receptors; K-ATP channels 3
3783581 10.1021/jm00161a011 Rattus norvegicus 3
9873741 10.1016/s0960-894x(98)00625-8 Cavia porcellus 3
2231601 10.1021/jm00173a018 Rattus norvegicus 3
7650676 10.1021/jm00017a007 Rattus norvegicus 3
18406154 10.1016/j.bmc.2008.03.065 Unchecked 3
- 10.1016/S0960-894X(00)80275-9 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine