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Compound Detail

CHEMBL1597016

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Cc1ccc2c(c1)/C(=C1/Nc3ccc(Br)cc3/C1=N\O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1597016
Phase Preclinical
Structure Type MOL
InChI Key WILNUONGCOKEIM-BAXAEGEVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
3.72
ALogP
4
HBA
3
HBD
73.7
PSA (Ų)
0.38
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 C17H12BrN3O2
MW 370.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Danio rerio
CHEMBL613963
 IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Danio rerio IC50 = 2500.0 nM 5.6 PUBCHEM_BIOASSAY: In Vivo Angiogenesis Dose-Response Confirmation. (Class of ass... -

Data from ChEMBL 36 via Core Engine