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Compound Detail

CHEMBL459182

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O=C(Nc1ccc(Br)cc1)c1cc(Br)cc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459182
Phase Preclinical
Structure Type MOL
InChI Key IXPKEGDIYPGSLP-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.0
MW (Da)
4.08
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Br2N2O4
MW 416.02
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.45

Activity Summary

IC50 2 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19072688 10.1021/jm8008019 Thermolysin 5

Data from ChEMBL 36 via Core Engine