Compound Detail
CHEMBL423487
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL423487 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JUSIFRCPTQSXJB-XSXWSVAESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
1.32
ALogP
6
HBA
6
HBD
156.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 3200.0 | nM | 5.5 | Agonist activity at human NTSR1 expressed in HEK293 cells assessed as Galphaq-me... | 37094450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7265123 | 10.1021/jm00136a004 | Unchecked | 3 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | Neurotensin receptor type 1 | 3 |
| - | 10.1016/S0960-894X(00)80059-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80059-1 | Mus musculus | 1 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | Neurotensin receptor type 2 | 1 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | HepG2 | 1 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | MDA-MB-231 | 1 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine