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Compound Detail

CHEMBL165276

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O=C1CN=C(c2ccccc2)c2c(ccc3ccccc23)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165276
Phase Preclinical
Structure Type MOL
InChI Key XHYCCZMHCVJVSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.63
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.73
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 C19H14N2O
MW 286.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
8145224 10.1021/jm00032a007 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine