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Compound Detail

CHEMBL79384

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CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79384
Phase Preclinical
Structure Type MOL
InChI Key KEZKEEXPNIHUCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
4.87
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O2S
MW 390.94
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.14

Literature References

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

Data from ChEMBL 36 via Core Engine