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Compound Detail

CHEMBL203560

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CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(O)c3)c(O)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203560
Phase Preclinical
Structure Type MOL
InChI Key SYGXMTOEPUHDQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.90
ALogP
7
HBA
4
HBD
121.1
PSA (Ų)
0.28
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 C24H28N2O6
MW 440.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 IC50 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 IC50 = 398.11 nM 6.4 Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO ce... 16539390

Literature References

PubMed DOI Target Context # Activities
16539390 10.1021/jm050879z Cannabinoid receptor 2 2
16539390 10.1021/jm050879z Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine