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Compound Detail

CHEMBL204760

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CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc(O)c(O)c3)c(O)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204760
Phase Preclinical
Structure Type MOL
InChI Key SKGUFJXEPKMCBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.86
ALogP
7
HBA
4
HBD
121.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O6
MW 426.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 IC50 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 IC50 = 3981.07 nM 5.4 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