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Compound Detail

CHEMBL263129

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Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL263129
Phase Preclinical
Structure Type MOL
InChI Key SCQIZSIOFTUDQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.14
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.66
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 C25H23NO4
MW 401.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
 Ki 6.29 6.29 509.0 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 = 509.0 nM 6.29 Displacement of [3H]CP-55940 from human CB1R expressed in HEK293 cells 18335976

Literature References

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

Data from ChEMBL 36 via Core Engine