Compound Detail
CHEMBL282996
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Basic Information
| ChEMBL ID | CHEMBL282996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYHNNCDMPVRREY-NSOVKSMOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
5.11
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 6.16 | 6.16 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
| Substance-P receptor | IC50 | = | 700.0 | nM | 6.16 | Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(00)80349-2 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine