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Compound Detail

CHEMBL5189843

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CCS(=O)(=O)Nc1ccc(C)cc1C(=O)Nc1ccccc1OCC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189843
Phase Preclinical
Structure Type MOL
InChI Key QSMFUPUBLYCUPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.95
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F3N2O4S
MW 416.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.15

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