Compound Detail
CHEMBL190034
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(-c2cc3[nH]c(=O)n(CCCN4CCN(c5ccccc5OC)CC4)c(=O)c3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL190034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSXWXRWMWCJXJX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.91
ALogP
7
HBA
2
HBD
95.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.28 | 6.28 | 525.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.77 | nM | 9.11 | Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor from rat corte... | 15801833 |
| D(2) dopamine receptor | Ki | = | 2.11 | nM | 8.68 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatum | 15801833 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 525.5 | nM | 6.28 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat ... | 15801833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801833 | 10.1021/jm040870h | Unchecked | 2 |
| 15801833 | 10.1021/jm040870h | Adrenergic receptor alpha-1 | 1 |
| 15801833 | 10.1021/jm040870h | 5-hydroxytryptamine receptor 1A | 1 |
| 15801833 | 10.1021/jm040870h | D(1A) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | D(2) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine