Compound Detail
CHEMBL254770
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CC[C@H](C)[C@H](NC(=O)CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL254770 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OUUOBYJEZVVMSL-KECVWQCXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
761.0
MW (Da)
0.93
ALogP
10
HBA
8
HBD
263.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL2514 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 2 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells | 21446649 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]neurotensin from pig NTR1 | 18276136 |
| Neurotensin receptor type 1 | Ki | = | 30000.0 | nM | 4.52 | Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells | 21446649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276136 | 10.1016/j.bmcl.2008.01.110 | Unchecked | 1 |
| 21446649 | 10.1021/jm200006c | Unchecked | 1 |
| 21446649 | 10.1021/jm200006c | Neurotensin receptor type 2 | 1 |
| 21446649 | 10.1021/jm200006c | Neurotensin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine