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Compound Detail

CHEMBL5800727

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CS(=O)(=O)Nc1ccccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5800727
Phase Preclinical
Structure Type MOL
InChI Key ZIXPNBQCWRSVDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
4.22
ALogP
6
HBA
3
HBD
96.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F3N5O2S
MW 437.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Focal adhesion kinase 1
CHEMBL2695
 IC50 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Focal adhesion kinase 1 IC50 = 0.59 nM 9.23 In Vitro Activity Assay: The in vitro activity of the compounds of the compounds... -

Data from ChEMBL 36 via Core Engine