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Compound Detail

CHEMBL4795786

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COc1cc2c(cc1OC)-c1cc(OCc3ccccc3)nc(=O)n1CC2

Basic Information

ChEMBL ID CHEMBL4795786
Phase Preclinical
Structure Type MOL
InChI Key SNRXYHGRBMHQIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.06
ALogP
6
HBA
0
HBD
62.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O4
MW 364.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 84
CHEMBL3714079
IC50 6.8 6.8 157.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32902984 10.1021/acs.jmedchem.0c00272 G-protein coupled receptor 84 1

Data from ChEMBL 36 via Core Engine