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Compound Detail

CHEMBL4160174

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O=C(/C=C/c1cccc(O)c1)/C=C/c1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160174
Phase Preclinical
Structure Type MOL
InChI Key WOHFCBMZGVNRBL-FIFLTTCUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.39
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.83
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 C17H14O3
MW 266.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
29223100 10.1016/j.ejmech.2017.11.048 Luciferin 4-monooxygenase 1
32172081 10.1016/j.ejmech.2020.112177 MDA-MB-231 1
32172081 10.1016/j.ejmech.2020.112177 RPMI-7951 1
32172081 10.1016/j.ejmech.2020.112177 HUVEC 1
32172081 10.1016/j.ejmech.2020.112177 Unchecked 1
32172081 10.1016/j.ejmech.2020.112177 SVR 1

Data from ChEMBL 36 via Core Engine