Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4742097

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc2c(cc1OC)-c1cc(CCc3ccccc3)nc(=O)n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4742097
Phase Preclinical
Structure Type MOL
InChI Key DNWVFJDQTSEPRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.27
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O3
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.15

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