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Compound Detail

CHEMBL2331642

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C=CCc1ccc(O)c(-c2cc(CC(O)CO)ccc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331642
Phase Preclinical
Structure Type MOL
InChI Key ORPULAPYNPMMAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.39
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H20O4
MW 300.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
24900561 10.1021/ml300235q G-protein coupled receptor 55 2
24900561 10.1021/ml300235q Cannabinoid receptor 2 2
24900561 10.1021/ml300235q Cannabinoid receptor 1 2
24900561 10.1021/ml300235q Monoglyceride lipase 1
24900561 10.1021/ml300235q Fatty-acid amide hydrolase 1 1
30006164 10.1016/j.ejmech.2018.06.048 HCC827 1
30006164 10.1016/j.ejmech.2018.06.048 NCI-H1975 1
30006164 10.1016/j.ejmech.2018.06.048 NCI-H460 1

Data from ChEMBL 36 via Core Engine