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Compound Detail

CHEMBL79136

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COc1ccc(/C=C\c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79136
Phase Preclinical
Structure Type MOL
InChI Key CAWFCZIEFIQKRV-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
3.87
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H16O2
MW 240.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
17316918 10.1016/j.ejmech.2006.12.012 Unchecked 2
15115384 10.1021/jm0498708 Sortase A 1
17316918 10.1016/j.ejmech.2006.12.012 NON-PROTEIN TARGET 1
21215623 10.1016/j.bmcl.2010.12.029 NON-PROTEIN TARGET 1
21215623 10.1016/j.bmcl.2010.12.029 NAD(P)H dehydrogenase [quinone] 1 1

Data from ChEMBL 36 via Core Engine