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Compound Detail

CHEMBL5593428

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N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)(F)F)c3[nH]ncc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593428
Phase Preclinical
Structure Type MOL
InChI Key FMYKIXMGLGQDQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
3.66
ALogP
5
HBA
1
HBD
95.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7F4N3O3S
MW 385.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
38959730 10.1016/j.ejmech.2024.116645 Endothelial PAS domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine