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Compound Detail

CHEMBL36032

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CCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL36032
Phase Preclinical
Structure Type MOL
InChI Key NQVYSPCHZPQQRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.57
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N4O
MW 368.53
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.07

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11906286 10.1021/jm010267o Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine