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Compound Detail

CHEMBL4798150

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O=S(=O)(c1ccc(-c2noc(-c3ccco3)n2)cc1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798150
Phase Preclinical
Structure Type MOL
InChI Key ZZAZCXDNNYUCFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.17
ALogP
6
HBA
0
HBD
89.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O4S
MW 359.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.36

Literature References

PubMed DOI Target Context # Activities
32977721 10.1021/acs.jmedchem.0c00964 Orexin/Hypocretin receptor type 1 1
32977721 10.1021/acs.jmedchem.0c00964 Unchecked 1

Data from ChEMBL 36 via Core Engine