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Compound Detail

CHEMBL1078750

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c1ccc(-c2ccc(OCCNCC3COC(c4ccccc4)(c4ccccc4)O3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078750
Phase Preclinical
Structure Type MOL
InChI Key FBYVWPPEENYVFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
5.64
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H29NO3
MW 451.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.08

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