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Compound Detail

CHEMBL3427113

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CS(=O)(=O)Nc1ccc(C(Cc2ccccc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427113
Phase Preclinical
Structure Type MOL
InChI Key CWNBTLIHJLPQLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

609.7
MW (Da)
6.68
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31F4N3O3S2
MW 609.71
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
25937016 10.1016/j.bmcl.2015.04.024 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine