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Compound Detail

CHEMBL2442906

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442906
Phase Preclinical
Structure Type MOL
InChI Key QNIVLSKBJLLBHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

578.6
MW (Da)
3.85
ALogP
7
HBA
2
HBD
100.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30F4N4O4S2
MW 578.65
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -2.01

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