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Compound Detail

CHEMBL3427108

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Cc1ccccc1C(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427108
Phase Preclinical
Structure Type MOL
InChI Key TWARXALIPUGPAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

609.7
MW (Da)
6.79
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
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 -1.46

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