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Compound Detail

CHEMBL3319116

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(NS(C)(=O)=O)c1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319116
Phase Preclinical
Structure Type MOL
InChI Key OPGWRANPFLDQTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

588.6
MW (Da)
4.07
ALogP
6
HBA
3
HBD
134.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24F4N4O5S2
MW 588.61
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
25011915 10.1016/j.bmcl.2014.05.072 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine