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Compound Detail

CHEMBL2443066

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O=C(Nc1nc2ccc(F)cc2s1)N1CCC2(CCc3cccc(Cl)c3O2)CC1

Basic Information

ChEMBL ID CHEMBL2443066
Phase Preclinical
Structure Type MOL
InChI Key TVHROQADBLZZQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
5.48
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClFN3O2S
MW 431.92
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 6.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.95 6.95 113.1 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