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

CHEMBL263390

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
O=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL263390
Phase Preclinical
Structure Type MOL
InChI Key MUGUIPZHIXFYJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.3
MW (Da)
4.59
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20BrNO4
MW 466.33
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 6.06 6.06 873.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL - - Homo sapiens
CL - - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 873.0 nM 6.06 Displacement of [3H]CP-55940 from human CB1R expressed in HEK293 cells 18335976

Literature References

PubMed DOI Target Context # Activities
18335976 10.1021/jm701487t Cannabinoid receptor 1 2
18335976 10.1021/jm701487t Liver microsomes 2
18335976 10.1021/jm701487t Mus musculus 1

Data from ChEMBL 36 via Core Engine