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Compound Detail

CHEMBL1715078

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N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1

Basic Information

ChEMBL ID CHEMBL1715078
Phase Preclinical
Structure Type MOL
InChI Key YPWCXXFHARYVQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
1.31
ALogP
8
HBA
2
HBD
104.7
PSA (Ų)
0.59
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 C23H28N6O3
MW 436.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
EC50 5.07 5.07 8590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 EC50 = 8590.0 nM 5.07 PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using a... -

Data from ChEMBL 36 via Core Engine