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Compound Detail

CHEMBL5171590

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O=C(Nc1ccccc1OCC(F)(F)F)c1cc(F)ccc1NS(=O)(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171590
Phase Preclinical
Structure Type MOL
InChI Key YFNZQCVIJOAUPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
3.92
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F4N2O4S
MW 432.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.09

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