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Compound Detail

CHEMBL4159084

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N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c(C(=O)O)c2C(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159084
Phase Preclinical
Structure Type MOL
InChI Key SZWTURRRODKIQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
4.12
ALogP
5
HBA
1
HBD
104.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8F5NO5S
MW 421.30
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
30289716 10.1021/acs.jmedchem.8b01196 Endothelial PAS domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine