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Compound Detail

CHEMBL165021

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c1ccc(CNc2ccc3[nH]c4ccccc4c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165021
Phase Preclinical
Structure Type MOL
InChI Key LFIMITGQRZRBBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
4.93
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2
MW 272.35
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
3031296 10.1021/jm00387a033 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine