Compound Detail
CHEMBL4539249
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)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)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](CCC(N)=O)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)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4539249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQFMCHAQHTWXNK-KXQCFMTKSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
4004.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.25
IC50 2 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin receptor CHEMBL1832 | EC50 | 10.25 | 9.845 | 0.1 | 2 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 10.18 | 9.72 | 0.1 | 2 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | IC50 | 9.47 | 9.47 | 0.3 | 1 |
| Calcitonin receptor CHEMBL1832 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin receptor | EC50 | = | 0.056 | nM | 10.25 | Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... | - |
| Amylin receptor AMY3; CALCR/RAMP3 | EC50 | = | 0.066 | nM | 10.18 | Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... | - |
| Amylin receptor AMY3; CALCR/RAMP3 | IC50 | = | 0.338 | nM | 9.47 | Displacement of [125I]-labeled rat amylin from human amylin receptor expressed i... | - |
| Calcitonin receptor | EC50 | = | 0.366 | nM | 9.44 | Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... | - |
| Amylin receptor AMY3; CALCR/RAMP3 | EC50 | = | 0.546 | nM | 9.26 | Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... | - |
| Calcitonin receptor | IC50 | = | 0.796 | nM | 9.1 | Displacement of [125I]-labeled human calcitonin from human calcitonin receptor e... | - |
Data from ChEMBL 36 via Core Engine