Compound Detail
CHEMBL5556440
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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](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](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](CCCNC(=N)N)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 | CHEMBL5556440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKFKEVRSEYIPRD-TXAVNGFNSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
3984.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.35
EC50 2 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 9.47 | 9.47 | 0.3 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | IC50 | 9.35 | 9.35 | 0.4 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| Calcitonin receptor CHEMBL1832 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Calcitonin receptor CHEMBL1832 | IC50 | 7.64 | 7.64 | 22.9 | 1 |
| Calcitonin receptor CHEMBL2204 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amylin receptor AMY3; CALCR/RAMP3 | EC50 | = | 0.34 | nM | 9.47 | Agonist activity at human AMY3R complex of CTR/RAMP3 expressed in Baby hamster k... | 38960379 |
| Amylin receptor AMY3; CALCR/RAMP3 | IC50 | = | 0.449 | nM | 9.35 | Displacement of 125I-rat amylin from rat AMY3R complex of CTR/RAMP3 expressed in... | 38960379 |
| Amylin receptor AMY3; CALCR/RAMP3 | IC50 | = | 0.745 | nM | 9.13 | Displacement of 125I-rat amylin from human AMY3R complex of CTR/RAMP3 expressed ... | 38960379 |
| Calcitonin receptor | EC50 | = | 5.204 | nM | 8.28 | Agonist activity at human CTR expressed in Baby hamster kidney cells incubated f... | 38960379 |
| Calcitonin receptor | IC50 | = | 22.91 | nM | 7.64 | Displacement of 125I-Calcitonin from human CTR expressed in Baby hamster kidney ... | 38960379 |
| Calcitonin receptor | IC50 | = | 50.05 | nM | 7.3 | Displacement of 125I-Calcitonin from rat CTR expressed in Baby hamster kidney ce... | 38960379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38960379 | 10.1021/acs.jmedchem.4c00022 | No relevant target | 8 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Unchecked | 5 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Amylin receptor AMY3; CALCR/RAMP3 | 3 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Calcitonin receptor | 3 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine