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Compound Detail

CHEMBL3770394

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1NS(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770394
Phase Preclinical
Structure Type MOL
InChI Key LXWGHNBAGRJJQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
3.83
ALogP
6
HBA
3
HBD
134.3
PSA (Ų)
0.33
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 C23H22F4N4O5S2
MW 574.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
26860926 10.1016/j.bmc.2016.01.051 Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine