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Compound Detail

CHEMBL3613631

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CC(C)N1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613631
Phase Preclinical
Structure Type MOL
InChI Key KPSDYCNOHQFWBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
3.22
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F3N3O4S2
MW 491.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
26235950 10.1016/j.bmcl.2015.06.098 Transient receptor potential cation channel subfamily V member 4 2

Data from ChEMBL 36 via Core Engine