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Compound Detail

CHEMBL4636837

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O=C(O)c1ccc(CO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636837
Phase Preclinical
Structure Type MOL
InChI Key WWYFPDXEIFBNKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
0.88
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O3
MW 152.15
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
32435401 10.1021/acsmedchemlett.9b00661 Sigma non-opioid intracellular receptor 1 2
32435401 10.1021/acsmedchemlett.9b00661 Sigma intracellular receptor 2 2
32435401 10.1021/acsmedchemlett.9b00661 MCF7 2

Data from ChEMBL 36 via Core Engine