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Compound Detail

CHEMBL365218

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CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL365218
Phase Preclinical
Structure Type MOL
InChI Key KVZVPZYFPDOIMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
6.96
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10Cl3F4N3S
MW 470.71
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2093872
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341958 10.1016/j.bmcl.2004.07.033 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine