Compound Detail
CHEMBL3216988
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 | CHEMBL3216988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJCUHWWDFQPBMN-MPGISEFESA-N |
| Parent Compound | CHEMBL1963299 |
| Active Moiety | CHEMBL1963299 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
2.93
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1.4 | nM | 8.85 | Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins b... | 21944973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944973 | 10.1016/j.bmc.2011.08.070 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine