Compound Detail
CHEMBL5566453
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=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](N)CCCCN)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)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=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](CCCCN)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 | CHEMBL5566453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQQJHFRUFGYCPL-TXAVNGFNSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
3941.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.51
IC50 4 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 9.51 | 9.51 | 0.3 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | IC50 | 8.94 | 8.94 | 1.1 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Calcitonin receptor CHEMBL1832 | EC50 | 8.58 | 8.58 | 2.6 | 1 |
| Calcitonin receptor CHEMBL2204 | EC50 | 7.52 | 7.52 | 30.4 | 1 |
| Calcitonin receptor CHEMBL1832 | IC50 | 7.13 | 7.13 | 73.4 | 1 |
| Calcitonin receptor CHEMBL2204 | IC50 | 7.05 | 7.05 | 89.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38960379 | 10.1021/acs.jmedchem.4c00022 | No relevant target | 8 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Unchecked | 6 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Amylin receptor AMY3; CALCR/RAMP3 | 4 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Calcitonin receptor | 4 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine