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Compound Detail

CHEMBL3144699

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O=c1c2cnc3c(OCc4ccccc4)cccc3c2[nH]n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144699
Phase Preclinical
Structure Type MOL
InChI Key KHEPLBRUZBXPOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
4.45
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O2
MW 367.41
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
7699711 10.1021/jm00006a014 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine