Compound Detail
CHEMBL303181
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Basic Information
| ChEMBL ID | CHEMBL303181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXKICKCHXGVWDV-RXVVDRJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
2.48
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 227.0 | nM | 6.64 | Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00009-I | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine