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Compound Detail

CHEMBL1589857

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Cc1cccc2c1NC(=O)/C2=C1\Nc2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL1589857
Phase Preclinical
Structure Type MOL
InChI Key CWRDPAAAWMRPFC-SQFISAMPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.97
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O2
MW 276.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.28

Activity Summary

IC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Danio rerio
CHEMBL613963
IC50 5.91 5.91 1230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Danio rerio IC50 = 1230.0 nM 5.91 PUBCHEM_BIOASSAY: In Vivo Angiogenesis Dose-Response Confirmation. (Class of ass... -

Data from ChEMBL 36 via Core Engine