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Compound Detail

CHEMBL154813

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COC(=O)c1cc2[nH]cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154813
Phase Preclinical
Structure Type MOL
InChI Key PTZVKSLCCQTAJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.74
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.65
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 C8H7N3O2
MW 177.16
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine