Compound Detail
CHEMBL84588
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Basic Information
| ChEMBL ID | CHEMBL84588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEPSRRZBDUBAKD-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
5.34
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.71
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 7.0 | nM | 8.15 | Compound was tested for the displacement of [ 1251] Substance P from hNK1 recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80280-8 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine