Compound Detail
CHEMBL382043
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Basic Information
| ChEMBL ID | CHEMBL382043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBIHHPIKJFMKCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.8
MW (Da)
7.32
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]-labeled substance P from cloned human NK1 receptor expresse... | 16332435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16332435 | 10.1016/j.bmcl.2005.11.047 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine