Compound Detail
CHEMBL313114
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Basic Information
| ChEMBL ID | CHEMBL313114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSKGXFZDJKIKGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
5.28
ALogP
2
HBA
4
HBD
86.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-B receptor CHEMBL3636 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-B receptor | Ki | = | 3700.0 | nM | 5.43 | Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00481-7 | Neuromedin-B receptor | 1 |
| - | 10.1016/0960-894X(96)00481-7 | Gastrin-releasing peptide receptor | 1 |
Data from ChEMBL 36 via Core Engine