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Compound Detail

CHEMBL2179732

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CCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179732
Phase Preclinical
Structure Type MOL
InChI Key UGKLCDRWUKCSAK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.86
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.76
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 C21H35N3O2
MW 361.53
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.81

Activity Summary

Ki 2 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 Ki 5.45 5.45 3553.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 3553.0 nM 5.45 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... 23072339
Cannabinoid receptor 2 Ki = 3553.0 nM 5.45 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... 23072339

Literature References

PubMed DOI Target Context # Activities
23072339 10.1021/jm301212u Cannabinoid receptor 2 2
23072339 10.1021/jm301212u Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine