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Compound Detail

CHEMBL422592

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Nc1ccc2[nH]c3c[nH]c4c5cc(Cl)ccc5nc-4c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422592
Phase Preclinical
Structure Type MOL
InChI Key SZQPXSXNODPORG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.8
MW (Da)
4.54
ALogP
2
HBA
3
HBD
70.5
PSA (Ų)
0.37
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 C17H11ClN4
MW 306.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
2167978 10.1021/jm00171a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine