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Compound Detail

CHEMBL2071005

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Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071005
Phase Preclinical
Structure Type MOL
InChI Key LVEKCAQUUIXWME-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
5.20
ALogP
6
HBA
1
HBD
88.6
PSA (Ų)
0.48
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F3N3O4S2
MW 525.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.12

Literature References

PubMed DOI Target Context # Activities
22910039 10.1016/j.bmcl.2012.07.060 Potassium voltage-gated channel subfamily KQT member 1 1

Data from ChEMBL 36 via Core Engine