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Compound Detail

CHEMBL5267293

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CC1(C)CCc2c(sc3nc(CO)nc(N4CCN(C(=O)c5ccco5)CC4)c23)C1

Basic Information

ChEMBL ID CHEMBL5267293
Phase Preclinical
Structure Type MOL
InChI Key MTNSXGOLEYKZOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.25
ALogP
7
HBA
1
HBD
82.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O3S
MW 426.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.14 5.14 7160.0 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