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Compound Detail

CHEMBL5989151

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Cc1ccc(N(C)S(C)(=O)=O)cc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5989151
Phase Preclinical
Structure Type MOL
InChI Key DJZMFKHHKDCHEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
4.56
ALogP
6
HBA
2
HBD
87.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3N5O2S
MW 465.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Focal adhesion kinase 1
CHEMBL2695
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Focal adhesion kinase 1 IC50 = 0.6 nM 9.22 In Vitro Activity Assay: The in vitro activity of the compounds of the compounds... -

Data from ChEMBL 36 via Core Engine