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Compound Detail

CHEMBL4581487

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Cc1ccc(C(F)(F)F)n1-c1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4581487
Phase Preclinical
Structure Type MOL
InChI Key WFAWVISSGQMNBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.2
MW (Da)
3.50
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F3NO2
MW 269.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.19

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Jurkat
CHEMBL397
 EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Jurkat EC50 = 10000.0 nM 5.0 Cytotoxic activity against human Jurkat cells assessed as reduction in cell viab... -

Data from ChEMBL 36 via Core Engine