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Compound Detail

CHEMBL2443087

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N#Cc1ccc(NC(=O)N2CCC3(CCc4cccc(Cl)c4O3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL2443087
Phase Preclinical
Structure Type MOL
InChI Key MIAPWXITKNBFGI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
4.60
ALogP
3
HBA
1
HBD
65.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN3O2
MW 381.86
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.26 6.26 543.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24055075 10.1016/j.bmc.2013.08.031 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine