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Compound Detail

CHEMBL32929

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CCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL32929
Phase Preclinical
Structure Type MOL
InChI Key CCAVJKKSPCZNBU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.40
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4O
MW 326.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.29

Activity Summary

Ki 3 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 6.11 6.11 771.0 1
Cannabinoid receptor 1
CHEMBL218
Ki 5.45 5.45 3564.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0418-y Cannabinoid receptor 1 2
11906286 10.1021/jm010267o Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine