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Compound Detail

CHEMBL78422

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CCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(CC(C)C)cc3)=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78422
Phase Preclinical
Structure Type MOL
InChI Key LFOUEELIUITNAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.42
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.58
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 C24H32N2O2S
MW 412.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
10395481 10.1021/jm9805889 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine