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Compound Detail

CHEMBL3427116

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Cc1ccc(CC(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427116
Phase Preclinical
Structure Type MOL
InChI Key SUAWQODOSOPHRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

606.7
MW (Da)
5.80
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.30
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 C30H34F4N4O3S
MW 606.69
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.48

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