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Compound Detail

CHEMBL3144807

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O=c1c2ncc3ccccc3c2[nH]n1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144807
Phase Preclinical
Structure Type MOL
InChI Key AUFHUXSDQUEVRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.7
MW (Da)
3.52
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10ClN3O
MW 295.73
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
1310121 10.1021/jm00080a024 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine