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Compound Detail

CHEMBL1514238

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O=C(/C=C/c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1

Basic Information

ChEMBL ID CHEMBL1514238
Phase Preclinical
Structure Type MOL
InChI Key BWHGGLUTDCVLQU-ZZXKWVIFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.7
MW (Da)
3.74
ALogP
4
HBA
0
HBD
73.3
PSA (Ų)
0.37
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 C13H8ClNO4
MW 277.66
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.11

Activity Summary

EC50 2 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.95 5.5 1128.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine