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Compound Detail

CHEMBL382438

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O=c1c2ccccc2c(Cc2ccccc2)nn1-c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382438
Phase Preclinical
Structure Type MOL
InChI Key SUJGNEISJVIGTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.74
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15BrN2O
MW 391.27
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1D adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1A adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1B adrenergic receptor 1

Data from ChEMBL 36 via Core Engine