Compound Detail
CHEMBL4443697
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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)CCCCCCCCCCCCCCCCCCC(=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 | CHEMBL4443697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUISXABFRPMDF-UAONQIJTSA-N |
3
Targets
10
Activities
2
Assay Types
1
PK Parameters
0
Publications
0
Known Names
Molecular Properties
3726.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.15
EC50 4 meas. best 10.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 10.66 | 10.415 | 0.0 | 2 |
| Calcitonin receptor CHEMBL1832 | EC50 | 10.64 | 10.63 | 0.0 | 2 |
| Calcitonin receptor CHEMBL1832 | IC50 | 10.15 | 9.46 | 0.1 | 3 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | IC50 | 9.4 | 8.99 | 0.4 | 2 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 88.0 | hr | Sus scrofa domesticus |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine