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Compound Detail

CHEMBL365808

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COc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365808
Phase Preclinical
Structure Type MOL
InChI Key WAZLYIKNFIGBOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
1.32
ALogP
7
HBA
1
HBD
90.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O4
MW 338.32
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
15828832 10.1021/jm0408722 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine