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Compound Detail

CHEMBL200777

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CCOc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200777
Phase Preclinical
Structure Type MOL
InChI Key WPZACLGKYATVLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.73
ALogP
7
HBA
1
HBD
67.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO6
MW 467.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
16302814 10.1021/jm0580398 5-hydroxytryptamine receptor 1A 3
16302814 10.1021/jm0580398 PC-3 3
16302814 10.1021/jm0580398 Alpha-1A adrenergic receptor 2
16302814 10.1021/jm0580398 Alpha-1B adrenergic receptor 2
16302814 10.1021/jm0580398 Alpha-1D adrenergic receptor 2

Data from ChEMBL 36 via Core Engine