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Compound Detail

CHEMBL5202757

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O=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCOc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202757
Phase Preclinical
Structure Type MOL
InChI Key GORJEPDWXRKFQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.63
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O4S
MW 358.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.68

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