Compound Detail
CHEMBL4463399
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4463399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPPTZTSNISDQCQ-GUUUUNJBSA-N |
| Parent Compound | CHEMBL4595550 |
| Active Moiety | CHEMBL4595550 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1253.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 9.12 | 9.005 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 0.7586 | nM | 9.12 | Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-... | 31938457 |
| Neurotensin receptor type 1 | Ki | = | 1.288 | nM | 8.89 | Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed... | 31938457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938457 | 10.1021/acsmedchemlett.9b00462 | Neurotensin receptor type 1 | 7 |
| 31938457 | 10.1021/acsmedchemlett.9b00462 | Neurotensin receptor type 2 | 1 |
| 31938457 | 10.1021/acsmedchemlett.9b00462 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine