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Compound Detail

CHEMBL275800

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CCOc1c(Br)cc(Br)cc1-c1nnc2c3ccccc3c(N3CCCC3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275800
Phase Preclinical
Structure Type MOL
InChI Key QQDMAYFIAIIPLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

517.2
MW (Da)
5.47
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Br2N5O
MW 517.23
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
2836588 10.1021/jm00401a010 Mus musculus 2
2836588 10.1021/jm00401a010 GABA-A receptor; anion channel 1
2836588 10.1021/jm00401a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine