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

CHEMBL512060

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
CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512060
Phase Preclinical
Structure Type MOL
InChI Key DTDBTPMWXYTNHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.9
MW (Da)
5.38
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.75
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26ClN3O
MW 359.90
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.53

Activity Summary

EC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 EC50 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 EC50 = 251.19 nM 6.6 Agonist activity at human CB2 receptor expressed in yeast cells assessed as degr... 19010671

Literature References

PubMed DOI Target Context # Activities
19010671 10.1016/j.bmcl.2008.10.118 Cannabinoid receptor 1 2
19010671 10.1016/j.bmcl.2008.10.118 Cannabinoid receptor 2 2
19010671 10.1016/j.bmcl.2008.10.118 No relevant target 1

Data from ChEMBL 36 via Core Engine