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Compound Detail

CHEMBL4168682

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O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1cc(F)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168682
Phase Preclinical
Structure Type MOL
InChI Key QONODMQQXMILPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.7
MW (Da)
4.42
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7ClF4N2O4S
MW 398.72
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.05

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