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Compound Detail

CHEMBL2016942

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COc1ccc(/C=C/C(=N\O)c2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2016942
Phase Preclinical
Structure Type MOL
InChI Key DZISLAFUCQZBIL-KOWFSFSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.2
MW (Da)
4.35
ALogP
3
HBA
1
HBD
41.8
PSA (Ų)
0.51
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 C16H14BrNO2
MW 332.20
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.28

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
22494616 10.1016/j.bmcl.2012.03.080 Unchecked 1

Data from ChEMBL 36 via Core Engine