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Compound Detail

CHEMBL311594

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Brc1ccc2[nH]c3c(ncc4[nH]c5ccc(Br)cc5c43)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311594
Phase Preclinical
Structure Type MOL
InChI Key NZEYMSYVGMOPCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.1
MW (Da)
5.88
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9Br2N3
MW 415.09
Aromatic Rings 5
Heavy Atoms 22
NP-Likeness -0.02

Literature References

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

Data from ChEMBL 36 via Core Engine