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Compound Detail

CHEMBL3410832

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CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410832
Phase Preclinical
Structure Type MOL
InChI Key YTEFZXWUHRMWQJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.23
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN2O4
MW 440.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.61

Activity Summary

Ki 2 meas. best 10.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 Ki 10.68 10.68 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 0.021 nM 10.68 Binding affinity to CB2 receptor (unknown origin) 25644673
Cannabinoid receptor 2 Ki = 0.02099 nM 10.68 Binding affinity to CB2 receptor (unknown origin) 25644673

Literature References

PubMed DOI Target Context # Activities
25644673 10.1016/j.ejmech.2015.01.054 Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine