Compound Detail
CHEMBL86746
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
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL86746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCOQELYASVJLJH-NSOVKSMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
6.39
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.17 | 7.17 | 67.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 67.7 | nM | 7.17 | Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-su... | 1378901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1378901 | 10.1021/jm00092a009 | Cavia porcellus | 2 |
| 1378901 | 10.1021/jm00092a009 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine