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Compound Detail

CHEMBL595244

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C[C@@H]1CC[C@H](C)N1c1ccc(-c2c[nH]c3ccccc23)nn1

Basic Information

ChEMBL ID CHEMBL595244
Phase Preclinical
Structure Type MOL
InChI Key PFZMCDNBEBHNGO-BETUJISGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.00
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4
MW 292.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
EC50 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 EC50 = 251.19 nM 6.6 Agonist activity at human CB2 receptor 20005703

Literature References

PubMed DOI Target Context # Activities
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 2 2
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine