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Compound Detail

CHEMBL5194793

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CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCCOC(=O)N12

Basic Information

ChEMBL ID CHEMBL5194793
Phase Preclinical
Structure Type MOL
InChI Key FHGPLEXQYXUKIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
2.42
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N3O6S
MW 467.59
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Orexin receptor type 2
CHEMBL4792
IC50 10.3 10.3 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36105324 10.1021/acsmedchemlett.2c00341 Orexin receptor type 2 1

Data from ChEMBL 36 via Core Engine