Compound Detail
CHEMBL4559158
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4559158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHSDQHXFXUXCAV-BFSKDTMHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
3698.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin receptor CHEMBL1832 | EC50 | 11.0 | 10.91 | 0.0 | 2 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 11.0 | 10.81 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amylin receptor AMY3; CALCR/RAMP3 | EC50 | = | 0.01 | nM | 11.0 | Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... | - |
| Calcitonin receptor | EC50 | = | 0.01 | nM | 11.0 | Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... | - |
| Calcitonin receptor | EC50 | = | 0.015 | nM | 10.82 | Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... | - |
| Amylin receptor AMY3; CALCR/RAMP3 | EC50 | = | 0.024 | nM | 10.62 | Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... | - |
Data from ChEMBL 36 via Core Engine