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Compound Detail

CHEMBL3189853

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COc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1OC

Basic Information

ChEMBL ID CHEMBL3189853
Phase Preclinical
Structure Type MOL
InChI Key LMGWAAJVIRQZTB-VCHYOVAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.64
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3
MW 296.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-tyrosine kinase 2-beta
CHEMBL5469
IC50 5.42 5.42 3775.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein-tyrosine kinase 2-beta IC50 = 3775.0 nM 5.42 PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... -

Data from ChEMBL 36 via Core Engine