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Compound Detail

CHEMBL373169

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CCCCCn1cc(C(=O)Nc2ccc(C#N)cc2)c(=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL373169
Phase Preclinical
Structure Type MOL
InChI Key SNLKBUWHICYJCF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O2
MW 359.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

Ki 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
Ki 6.11 6.11 772.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 772.0 nM 6.11 Displacement of [3H]CP-55940 from human CB2 receptor 16392793

Literature References

PubMed DOI Target Context # Activities
16392793 10.1021/jm050467q Cannabinoid receptor 2 3
16392793 10.1021/jm050467q Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine