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Compound Detail

CHEMBL1277267

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O=C1c2cccc(Cl)c2C(Cc2ccc([N+](=O)[O-])cc2)c2c(Cl)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277267
Phase Preclinical
Structure Type MOL
InChI Key DNVHPHKMHXPFBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
5.82
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13Cl2NO3
MW 398.25
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
20828887 10.1016/j.ejmech.2010.08.047 HaCaT 2
20828887 10.1016/j.ejmech.2010.08.047 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine