Compound Detail
CHEMBL267748
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N/C=C/C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL267748 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MQPSRBUOULZMNK-FLNNRAHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
759.0
MW (Da)
3.14
ALogP
10
HBA
7
HBD
229.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL3027 | Ki | 5.79 | 5.79 | 1626.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 1626.0 | nM | 5.79 | Neurotensin receptor binding affinity by displacement of [3H]- neurotensin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80282-6 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80282-6 | Neurotensin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine