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Compound Detail

CHEMBL4750515

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O=C(c1ccccc1)c1cc(O)c(-c2ccncc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750515
Phase Preclinical
Structure Type MOL
InChI Key AVUHALQZWHZXNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
3.39
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO3
MW 291.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 1 3
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 2 3
33550084 10.1016/j.bmc.2021.116035 Unchecked 1

Data from ChEMBL 36 via Core Engine