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Compound Detail

CHEMBL246640

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COc1ccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246640
Phase Preclinical
Structure Type MOL
InChI Key XDOMAOXDVFLDSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
5.69
ALogP
6
HBA
0
HBD
53.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO5
MW 459.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2B adrenergic receptor 1
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2C adrenergic receptor 1
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine