Compound Detail
CHEMBL515935
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 | CHEMBL515935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDMRETSUDYJFOO-QUCQDJGISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.70
ALogP
4
HBA
2
HBD
42.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.9 | nM | 9.05 | Displacement of [3H]spiperone from NK1 receptor in human IM9 cells | 18640044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640044 | 10.1016/j.bmc.2008.06.047 | Gerbillinae | 3 |
| 18640044 | 10.1016/j.bmc.2008.06.047 | Substance-P receptor | 1 |
| 18640044 | 10.1016/j.bmc.2008.06.047 | Cytochrome P450 2D6 | 1 |
| 18640044 | 10.1016/j.bmc.2008.06.047 | Mustela putorius furo | 1 |
Data from ChEMBL 36 via Core Engine