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Compound Detail

CHEMBL1210251

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O=C1c2cccc(Cl)c2C(Cc2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210251
Phase Preclinical
Structure Type MOL
InChI Key ILISUUKRYNHDLL-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 -0.26

Literature References

PubMed DOI Target Context # Activities
20537765 10.1016/j.ejmech.2010.04.032 K562 1
20537765 10.1016/j.ejmech.2010.04.032 Tubulin 1

Data from ChEMBL 36 via Core Engine