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

CHEMBL285259

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
CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL285259
Phase Preclinical
Structure Type MOL
InChI Key FORZBZGLKHGUCF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
4.94
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29BrN4O
MW 433.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.19

Activity Summary

Ki 3 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 7.2 7.2 63.0 1
Cannabinoid receptor 1
CHEMBL218
Ki 7.09 7.09 81.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0418-y Cannabinoid receptor 1 2
11906286 10.1021/jm010267o Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine