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Compound Detail

CHEMBL243472

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COc1ccc(/C=C/c2ccccc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243472
Phase Preclinical
Structure Type MOL
InChI Key JWDKGOAVRJBMNS-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
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

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O2
MW 240.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
21215623 10.1016/j.bmcl.2010.12.029 NAD(P)H dehydrogenase [quinone] 1 4
27426305 10.1016/j.bmcl.2016.07.018 ADMET 4
27426305 10.1016/j.bmcl.2016.07.018 Thymocyte 4
17316918 10.1016/j.ejmech.2006.12.012 Unchecked 3
17316918 10.1016/j.ejmech.2006.12.012 NON-PROTEIN TARGET 2
21215623 10.1016/j.bmcl.2010.12.029 Unchecked 1
21215623 10.1016/j.bmcl.2010.12.029 Cytochrome P450 1A2 1
21215623 10.1016/j.bmcl.2010.12.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine