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Compound Detail

CHEMBL4127408

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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(=O)(=O)C(F)(F)F)c(F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127408
Phase Preclinical
Structure Type MOL
InChI Key TYWBOSQVZOUASB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

570.5
MW (Da)
5.16
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F7N4O3S
MW 570.53
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
29884534 10.1016/j.bmcl.2018.05.043 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine