Compound Detail
CHEMBL118328
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 | CHEMBL118328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIZAZGNGSGBRIV-WMZOPIPTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.25
ALogP
3
HBA
4
HBD
114.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2304405 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | IC50 | = | 5200.0 | nM | 5.28 | Tested for binding affinity of compound against [125I]NKA binding to neurokinin-... | - |
| Substance-P receptor | IC50 | = | 9300.0 | nM | 5.03 | Tested for binding affinity against [125I]BH-SP binding to neurokinin-1 (NK-1) r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00570-7 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(96)00570-7 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine