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Compound Detail

CHEMBL5083834

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CC(=O)N1CCC[C@H](N(C)S(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](C(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083834
Phase Preclinical
Structure Type MOL
InChI Key PCCHODVGQHVBGM-RDGPPVDQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
2.49
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.70
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 C19H36N2O4S
MW 388.57
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness -0.29

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

Data from ChEMBL 36 via Core Engine