Compound Detail
CHEMBL2369457
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2369457 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YLCJVAIEBMLVOQ-FVWMIHOOSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3083.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.66
IC50 3 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 7.95 | 7.895 | 11.2 | 2 |
| Calcitonin gene-related peptide type 1 receptor CHEMBL4755 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 7.05 | 6.9767 | 89.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1319490 | 10.1021/jm00090a003 | Calcitonin gene-related peptide type 1 receptor | 6 |
| 1319490 | 10.1021/jm00090a003 | Cavia porcellus | 6 |
| 1319490 | 10.1021/jm00090a003 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine