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Compound Detail

CHEMBL2016940

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O/N=C(\C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2016940
Phase Preclinical
Structure Type MOL
InChI Key LBFFXIQDSLKNEI-HRAKXUCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.1
MW (Da)
5.65
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.42
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 C15H10BrCl2NO
MW 371.06
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
22494616 10.1016/j.bmcl.2012.03.080 NON-PROTEIN TARGET 1
22494616 10.1016/j.bmcl.2012.03.080 ADMET 1

Data from ChEMBL 36 via Core Engine