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Compound Detail

CHEMBL2070994

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COc1ccc(-c2csc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2070994
Phase Preclinical
Structure Type MOL
InChI Key NWDOZEFSUBNCRA-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
4.07
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O4S2
MW 459.59
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.78

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