Compound Detail
CHEMBL526530
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CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL526530 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | TXIPNELEPIRRRM-PONULDDFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1681.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.22
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | EC50 | 10.22 | 10.22 | 0.1 | 1 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 0.06 | nM | 10.22 | Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells ass... | 17428923 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor | IC50 | = | 7.2 | nM | 8.14 | Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor expressed... | 17428923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17428923 | 10.1073/pnas.0605125104 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 4 |
Data from ChEMBL 36 via Core Engine