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Compound Detail

CHEMBL275758

RILMAKALIM
🧪 Phase II
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🧪 Phase II
CC1(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2[C@@H](N2CCCC2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275758
Name RILMAKALIM
Phase Phase II
Structure Type MOL
InChI Key LKAQWOWWTKFLNX-UXHICEINSA-N

Known Names

Rilmakalim
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

401.5
MW (Da)
2.71
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -kalim

Extended Properties

Molecular Formula C21H23NO5S
MW 401.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.05

Activity Summary

EC50 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 EC50 8.62 8.095 2.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus EC50 = 2.399 nM 8.62 Dilator activity expressed as potency for relaxation of Aortic rings precontract... 11855989
Rattus norvegicus EC50 = 26.92 nM 7.57 Dilator activity expressed as potency for relaxation of Tracheal strips percontr... 11855989

Literature References

PubMed DOI Target Context # Activities
11855989 10.1021/jm010999g Rattus norvegicus 5
11855989 10.1021/jm010999g ATP-binding cassette sub-family C member 9 2

Data from ChEMBL 36 via Core Engine