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Compound Detail

CHEMBL5593516

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CS(=O)(=O)c1ccc([C@H]2CCCc3cc(F)cc(C#N)c32)c2c1[C@H](O)[C@H](F)[C@@H]2F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593516
Phase Preclinical
Structure Type MOL
InChI Key FIQWNBSGKGLBGG-JUDQEUQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
78.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F3NO3S
MW 421.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.49

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