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Compound Detail

CHEMBL5199642

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CC1(C)Oc2cccc(NC(=O)c3ccccc3NS(=O)(=O)C3CC3)c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199642
Phase Preclinical
Structure Type MOL
InChI Key FNKNKQQTSOPJCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.35
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O5S
MW 388.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.02

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