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Compound Detail

CHEMBL32268

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COc1ccc(C2Sc3ccc(C(F)(F)F)cc3-n3cccc3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL32268
Phase Preclinical
Structure Type MOL
InChI Key GPLOTYFHQXCYHG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
5.53
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3NO2S
MW 389.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

Activity Summary

IC50 2 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
IC50 5.21 5.21 6165.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8182701 10.1021/jm00036a007 Translocator protein 1
7990110 10.1021/jm00050a007 Translocator protein 1

Data from ChEMBL 36 via Core Engine