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Compound Detail

CHEMBL5091670

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

Basic Information

ChEMBL ID CHEMBL5091670
Phase Preclinical
Structure Type MOL
InChI Key BXCHBUYDFXKLTP-MKXGPGLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
2.54
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
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 -0.38

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