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Compound Detail

CHEMBL100016

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Oc1cccc(/C=C/c2cccc(O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100016
Phase Preclinical
Structure Type MOL
InChI Key VLOHFQFIKQIMBT-BQYQJAHWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.27
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12O2
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26402726 10.1016/j.ejmech.2015.09.014 ADMET 2
8411012 10.1021/jm00072a015 Tyrosine-protein kinase Lck 1
26402726 10.1016/j.ejmech.2015.09.014 HEK293 1
26402726 10.1016/j.ejmech.2015.09.014 MCF7 1
26402726 10.1016/j.ejmech.2015.09.014 HT-29 1

Data from ChEMBL 36 via Core Engine