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Compound Detail

CHEMBL1896572

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CC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1896572
Phase Preclinical
Structure Type MOL
InChI Key FFQUTICDHROJDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
6.44
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.48
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 C22H15F6NO2
MW 439.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.95 4.95 11320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11320.0 nM 4.95 PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine