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Compound Detail

CHEMBL152566

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O=C(O)C1Cc2[nH]cnc2C(c2ccccc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152566
Phase Preclinical
Structure Type MOL
InChI Key KFBHKNNDUHHZKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
1.10
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.74
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 C13H13N3O2
MW 243.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine