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Compound Detail

CHEMBL5092923

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CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL5092923
Phase Preclinical
Structure Type MOL
InChI Key GWXIWAAZEKCXMJ-RDGPPVDQSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.40
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O3S
MW 366.53
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.12

Activity Summary

EC50 7 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Orexin receptor type 2
CHEMBL4792
EC50 6.47 6.26 340.0 7

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35295087 10.1021/acsmedchemlett.1c00626 Orexin receptor type 2 1
35295087 10.1021/acsmedchemlett.1c00626 Orexin/Hypocretin receptor type 1 1
35295087 10.1021/acsmedchemlett.1c00626 ADMET 1

Data from ChEMBL 36 via Core Engine