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Compound Detail

CHEMBL3407958

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CC(C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3407958
Phase Preclinical
Structure Type MOL
InChI Key MGNALFRXTVPCFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
3.63
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F4N4O3S
MW 488.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
25659771 10.1016/j.ejmech.2015.02.001 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine