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Compound Detail

CHEMBL4434904

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CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C[C@H]2F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434904
Phase Preclinical
Structure Type MOL
InChI Key GKAZOGGHNUPGPH-CHWSQXEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.34
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F2NO4S
MW 365.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
31282155 10.1021/acs.jmedchem.9b00719 Endothelial PAS domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine