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Compound Detail

CHEMBL1088071

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COc1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088071
Phase Preclinical
Structure Type MOL
InChI Key OUDJOYYEESPOHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO4
MW 405.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
20185311 10.1016/j.bmcl.2010.01.030 Alpha-1A adrenergic receptor 1
20185311 10.1016/j.bmcl.2010.01.030 Alpha-1B adrenergic receptor 1
20185311 10.1016/j.bmcl.2010.01.030 Alpha-1D adrenergic receptor 1
20185311 10.1016/j.bmcl.2010.01.030 5-hydroxytryptamine receptor 1A 1
20185311 10.1016/j.bmcl.2010.01.030 Vas deferens 1
20185311 10.1016/j.bmcl.2010.01.030 Spleen 1
20185311 10.1016/j.bmcl.2010.01.030 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine