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Compound Detail

CHEMBL1681893

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Clc1ccc(-n2nc3c4c(ncc3c2OCc2cccc(Cl)c2)CCCC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1681893
Phase Preclinical
Structure Type MOL
InChI Key SYVFEOAEJCBCKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
6.19
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19Cl2N3O
MW 424.33
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
21277199 10.1016/j.bmcl.2010.12.107 Gamma-aminobutyric acid receptor subunit alpha-1 2
21277199 10.1016/j.bmcl.2010.12.107 Gamma-aminobutyric acid receptor subunit alpha-2 2

Data from ChEMBL 36 via Core Engine