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Compound Detail

CHEMBL5189972

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O=C(Nc1cccc2c1OC(F)(F)O2)c1ccccc1NS(=O)(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189972
Phase Preclinical
Structure Type MOL
InChI Key UEJFJUPRZZIGRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F2N2O5S
MW 396.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.32

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