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Compound Detail

CHEMBL294990

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Cc1csc(-c2cc(-c3ccc4ccccc4c3)c3n(c2=O)CCCc2ccncc2-3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294990
Phase Preclinical
Structure Type MOL
InChI Key LYALEPIXECFARJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
6.11
ALogP
5
HBA
0
HBD
47.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N3OS
MW 435.55
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
15026049 10.1016/j.bmcl.2004.01.057 GABA-A receptor; alpha-1/beta-3/gamma-2 1
15026049 10.1016/j.bmcl.2004.01.057 GABA-A receptor; alpha-3/beta-3/gamma-2 1
15026049 10.1016/j.bmcl.2004.01.057 Gamma-aminobutyric acid receptor subunit alpha-1 1
15026049 10.1016/j.bmcl.2004.01.057 Gamma-aminobutyric acid receptor subunit alpha-3 1

Data from ChEMBL 36 via Core Engine