Compound Detail
CHEMBL380726
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL380726 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MEOLJNZRWYJYQU-FWWXEKRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
655.8
MW (Da)
1.79
ALogP
7
HBA
7
HBD
212.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL3570 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 60.0 | nM | 7.22 | Binding affinity for Neurotensin Receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00155-M | Neurotensin receptor type 1 | 1 |
| - | 10.1016/0960-894X(95)00155-M | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine