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Compound Detail

CHEMBL5181514

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CCOc1cccnc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181514
Phase Preclinical
Structure Type MOL
InChI Key SWJCCFDCOFTUFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.64
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O4S
MW 361.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
35586421 10.1021/acsmedchemlett.2c00100 Mas-related G-protein coupled receptor member X1 2

Data from ChEMBL 36 via Core Engine