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Compound Detail

CHEMBL5275934

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Cc1ccc(C2(C(=O)N3CCN(n4cc(-c5ccccc5)oc4=O)CC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275934
Phase Preclinical
Structure Type MOL
InChI Key CZSOFIVIJCNYFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.93
ALogP
5
HBA
0
HBD
58.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O3
MW 403.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 55 IC50 = 1100.0 nM 5.96 Antagonist activity at GPR55 (unknown origin) by beta-arrestin recruitment assay 36655130

Literature References

PubMed DOI Target Context # Activities
36655130 10.1021/acsmedchemlett.2c00325 G-protein coupled receptor 55 1

Data from ChEMBL 36 via Core Engine