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Compound Detail

CHEMBL5207364

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COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207364
Phase Preclinical
Structure Type MOL
InChI Key KQEUWCFCVCVHCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.85
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O4S
MW 346.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.60

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