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Compound Detail

CHEMBL3317489

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc2[nH]ccc12)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3317489
Phase Preclinical
Structure Type MOL
InChI Key ZSYPNVGGXCSXLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
5.18
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F4N4O3S
MW 534.54
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.37

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