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Compound Detail

CHEMBL313687

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COc1ccc(/C=C\c2cc(O)cc(O)c2)cc1

Basic Information

ChEMBL ID CHEMBL313687
Phase Preclinical
Structure Type MOL
InChI Key IHVRWFJGOIWMGC-IHWYPQMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.28
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O3
MW 242.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
15043422 10.1021/np0303153 Unchecked 3
9392877 10.1021/np970069t Platelet 2
17316918 10.1016/j.ejmech.2006.12.012 Unchecked 2
17316918 10.1016/j.ejmech.2006.12.012 NON-PROTEIN TARGET 2
12036362 10.1021/jm010119y Streptococcus pneumoniae 1
21215623 10.1016/j.bmcl.2010.12.029 NAD(P)H dehydrogenase [quinone] 1 1
12036362 10.1021/jm010119y Stenotrophomonas maltophilia 1
12036362 10.1021/jm010119y Enterobacter cloacae 1
12036362 10.1021/jm010119y Escherichia coli 1
12036362 10.1021/jm010119y Micrococcus luteus 1
12036362 10.1021/jm010119y Enterococcus faecalis 1
12036362 10.1021/jm010119y P388 1
12036362 10.1021/jm010119y Staphylococcus aureus 1
12036362 10.1021/jm010119y Candida albicans 1
12036362 10.1021/jm010119y Cryptococcus neoformans 1
12036362 10.1021/jm010119y DU-145 1
12036362 10.1021/jm010119y KM-20L2 1
12036362 10.1021/jm010119y Unchecked 1
12036362 10.1021/jm010119y SF-268 1
12036362 10.1021/jm010119y MCF7 1

Data from ChEMBL 36 via Core Engine