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Quick search ChEMBL 36
Compound Detail

CHEMBL2012419

PHOYUNBENE D
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COc1cc(O)cc(/C=C/c2cccc(OC)c2OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012419
Name PHOYUNBENE D
Phase Preclinical
Structure Type MOL
InChI Key JTNSCGPJCOQOIF-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18O4
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 4.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.09 4.09 80500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 80500.0 nM 4.09 Cytotoxicity against human FHCC-98 cells after 24 hrs by MTT assay 22326393

Literature References

PubMed DOI Target Context # Activities
22326393 10.1016/j.bmcl.2011.12.095 HepG2 1
22326393 10.1016/j.bmcl.2011.12.095 ADMET 1
22326393 10.1016/j.bmcl.2011.12.095 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine