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Compound Detail

CHEMBL3427122

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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CCCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427122
Phase Preclinical
Structure Type MOL
InChI Key MKZAZUNLOWNYHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.6
MW (Da)
4.98
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32F4N4O3S
MW 556.63
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.64

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