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Compound Detail

CHEMBL12053

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C1=Cc2c([nH]c3ccccc23)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12053
Phase Preclinical
Structure Type MOL
InChI Key BIAPMJDDPWPHOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
2.24
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N2
MW 170.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine