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Compound Detail

CHEMBL2442914

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1[S+]([O-])C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442914
Phase Preclinical
Structure Type MOL
InChI Key ICYIZLMIIAOOTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
4.47
ALogP
5
HBA
2
HBD
111.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27F4N3O4S2
MW 549.61
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
24035514 10.1016/j.bmc.2013.08.015 Transient receptor potential cation channel subfamily V member 1 2

Data from ChEMBL 36 via Core Engine