Compound Detail
CHEMBL48732
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CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL48732 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KFZNONIHSWTLKK-KTHKBMNISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
1.68
ALogP
7
HBA
6
HBD
191.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | In vitro affinity for the neurotensin receptor on mouse brain membranes. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80059-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80059-1 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine