Compound Detail
CHEMBL95561
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
Basic Information
| ChEMBL ID | CHEMBL95561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJKYQYVSIFOVJJ-QCWLJUHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.33
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 2.4 | nM | 8.62 | Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cell... | 7520943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7520943 | 10.1021/jm00044a002 | Substance-P receptor | 1 |
| 7520943 | 10.1021/jm00044a002 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine