Compound Detail
CHEMBL288942
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Basic Information
| ChEMBL ID | CHEMBL288942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUNRZOHNBUMFRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
4.89
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL4027 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 26.0 | nM | 7.58 | Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding a... | - |
| Substance-P receptor | IC50 | = | 51.0 | nM | 7.29 | Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00277-Z | Substance-P receptor | 2 |
Data from ChEMBL 36 via Core Engine