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Compound Detail

CHEMBL5910690

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CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)cc2)ncc1C(F)(F)F)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5910690
Phase Preclinical
Structure Type MOL
InChI Key WNWKZECASNGYRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
2.14
ALogP
9
HBA
3
HBD
156.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N8O3S
MW 496.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.47

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