Compound Detail
CHEMBL1790704
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CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1790704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTVAGLBMDPWQGE-PGHZORDASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
757.0
MW (Da)
1.34
ALogP
8
HBA
7
HBD
247.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor CHEMBL2111438 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor | Ki | = | 450.0 | nM | 6.35 | Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors c... | 10498212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498212 | 10.1016/s0960-894x(99)00420-5 | Neurotensin receptor | 1 |
Data from ChEMBL 36 via Core Engine