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Compound Detail

CHEMBL1574619

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CCOc1ccc(NC2=NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1574619
Phase Preclinical
Structure Type MOL
InChI Key MNPKTUXPJGXWHZ-WJDWOHSUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
5.46
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.79
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN2O2S
MW 358.85
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-tyrosine kinase 2-beta
CHEMBL5469
 IC50 5.55 5.55 2794.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein-tyrosine kinase 2-beta IC50 = 2794.0 nM 5.55 PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... -

Data from ChEMBL 36 via Core Engine