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Compound Detail

CHEMBL60466

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CN(C(=O)C1=C(O)CCn2c1nc1ccccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60466
Phase Preclinical
Structure Type MOL
InChI Key GMNYRJLVSPAHLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
7837226 10.1021/jm00001a005 GABA-A receptor; anion channel 2
7837226 10.1021/jm00001a005 Mus musculus 1
7837226 10.1021/jm00001a005 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine