Compound Detail
CHEMBL4856671
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4856671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFKCSQPTFXUFQW-GZOXKTOPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4457.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.42 | 9.3 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.377 | nM | 9.42 | Agonist activity at human AMY3R (CT+RAMP3) expressed in Hollex1 cells incubated ... | 34288673 |
| Unchecked | EC50 | = | 0.657 | nM | 9.18 | Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... | 34288673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34288673 | 10.1021/acs.jmedchem.1c00565 | No relevant target | 8 |
| 34288673 | 10.1021/acs.jmedchem.1c00565 | Unchecked | 5 |
| 34288673 | 10.1021/acs.jmedchem.1c00565 | Insulin | 4 |
| 34288673 | 10.1021/acs.jmedchem.1c00565 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine