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Compound Detail

CHEMBL55777

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COc1ccc(-c2cc(-c3nc(C)no3)c(=O)n(C)c2-c2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55777
Phase Preclinical
Structure Type MOL
InChI Key FIRUPXQGBDGWLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.48
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O3
MW 374.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
11960500 10.1021/jm0110789 GABA-A receptor; alpha-1/beta-3/gamma-2 1
11960500 10.1021/jm0110789 GABA-A receptor; alpha-2/beta-3/gamma-2 1
11960500 10.1021/jm0110789 GABA-A receptor; alpha-3/beta-3/gamma-2 1
11960500 10.1021/jm0110789 GABA-A receptor; alpha-5/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine