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Compound Detail

CHEMBL510963

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Cn1c(=O)c2cc(Cl)ccc2n2cnc(CO)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510963
Phase Preclinical
Structure Type MOL
InChI Key KGVJKQUOKHIJJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.7
MW (Da)
1.33
ALogP
5
HBA
1
HBD
59.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10ClN3O2
MW 263.68
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
18537233 10.1021/jm701433b GABA-A receptor; alpha-1/beta-3/gamma-2 1
18537233 10.1021/jm701433b Gamma-aminobutyric acid receptor subunit alpha-5 1

Data from ChEMBL 36 via Core Engine