Compound Detail
CHEMBL2114310
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 | CHEMBL2114310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTQNEFOKTXXQKV-XRLBDJASSA-N |
| Parent Compound | CHEMBL441225 |
| Active Moiety | CHEMBL441225 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.28
ALogP
3
HBA
2
HBD
33.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL3942 | Kd | 9.49 | 9.49 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Kd | = | 0.32 | nM | 9.49 | Evaluated for the binding affinity towards NK1 receptor in the striatal membrane... | 7693945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7693945 | 10.1021/jm00073a022 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine