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Compound Detail

CHEMBL1553033

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O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(Br)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1553033
Phase Preclinical
Structure Type MOL
InChI Key KRYYJYTYWSLLMF-YPKPFQOOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.1
MW (Da)
3.56
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.71
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 C16H8BrFN2O2
MW 359.15
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Danio rerio
CHEMBL613963
 IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Danio rerio IC50 = 350.0 nM 6.46 PUBCHEM_BIOASSAY: In Vivo Angiogenesis Dose-Response Confirmation. (Class of ass... -

Data from ChEMBL 36 via Core Engine