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Compound Detail

CHEMBL206094

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COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206094
Phase Preclinical
Structure Type MOL
InChI Key GHUXBTWUCFUMMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.99
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O2
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.02

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