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Compound Detail

CHEMBL1468746

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COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC

Basic Information

ChEMBL ID CHEMBL1468746
Phase Preclinical
Structure Type MOL
InChI Key KVMVIANIQSGHHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.1
MW (Da)
3.23
ALogP
6
HBA
0
HBD
74.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10BrNO5
MW 352.14
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-tyrosine kinase 2-beta
CHEMBL5469
IC50 5.72 5.72 1907.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein-tyrosine kinase 2-beta IC50 = 1907.0 nM 5.72 PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... -

Data from ChEMBL 36 via Core Engine