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Compound Detail

CHEMBL10638

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CCOC(=O)c1ncc2c(c1CC)c1cc(OCc3ccccc3)ccc1n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10638
Phase Preclinical
Structure Type MOL
InChI Key DWZVESKCZRNVQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.04
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O3
MW 388.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
9651158 10.1021/jm970460b GABA-A receptor; anion channel 1
1968513 10.1021/jm00165a028 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine