Compound Detail
CHEMBL275752
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL275752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRJKDPKIORLJNC-BXFSUTSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
824.1
MW (Da)
2.93
ALogP
10
HBA
8
HBD
232.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 | 1607.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 1607.0 | 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