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Compound Detail

CHEMBL5283686

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Cc1nc(N2CCCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3

Basic Information

ChEMBL ID CHEMBL5283686
Phase Preclinical
Structure Type MOL
InChI Key OQXILFAPNLXMTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.82
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O2S
MW 396.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.49

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.02 5.02 9490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine