Compound Detail
CHEMBL1793837
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CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N
Basic Information
| ChEMBL ID | CHEMBL1793837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXGQKFWHFUGJDS-CPMVAYJASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
837.0
MW (Da)
-0.85
ALogP
10
HBA
11
HBD
332.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL3027 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | IC50 | = | 8000.0 | nM | 5.1 | IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin)... | 7699693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699693 | 10.1021/jm00006a021 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine