Compound Detail
CHEMBL4457798
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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)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)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
Basic Information
| ChEMBL ID | CHEMBL4457798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCOJNVSSODRPBC-LZUDCTEISA-N |
| Parent Compound | CHEMBL4597941 |
| Active Moiety | CHEMBL4597941 |
2
Targets
8
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1598.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.42
Ki 3 meas. best 8.88
EC50 2 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 9.38 | 8.805 | 0.4 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 8.88 | 8.87 | 1.3 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | Kd | 8.42 | 8.3433 | 3.8 | 3 |
| Neurotensin receptor type 2 CHEMBL2514 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
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