Compound Detail
CHEMBL370125
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(-c2cc3c(=O)n(CCN4CCN(c5ccccc5OC)CC4)c(=O)[nH]c3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL370125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAWYXANRFIWXDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
2.52
ALogP
7
HBA
2
HBD
95.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.95 | 6.95 | 113.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 5.47 | nM | 8.26 | Binding affinity to adrenergic alpha-1 receptor | 16216506 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 113.4 | nM | 6.95 | Binding affinity to 5HT1A | 16216506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Adrenergic receptor alpha-1 | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | 5-hydroxytryptamine receptor 1A | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | D(1A) dopamine receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | D(2) dopamine receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine