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Compound Detail

CHEMBL1496045

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Clc1ccccc1OCc1nc(-c2ccc(Br)o2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1496045
Phase Preclinical
Structure Type MOL
InChI Key NCGVWNIUGAZFTH-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.6
MW (Da)
4.32
ALogP
5
HBA
0
HBD
61.3
PSA (Ų)
0.70
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 C13H8BrClN2O3
MW 355.58
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.44

Activity Summary

EC50 1 meas.
IC50 1 meas.

Data from ChEMBL 36 via Core Engine