Compound Detail
CHEMBL506126
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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](CCCNC(=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 | CHEMBL506126 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PNJXWIJKATVXEY-FAQCDESUSA-N |
4
Targets
10
Activities
3
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1667.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 9.82
IC50 2 meas. best 8.16
Kd 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | EC50 | 9.82 | 8.6867 | 0.1 | 3 |
| Unchecked CHEMBL612545 | EC50 | 9.7 | 8.61 | 0.2 | 2 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL6038 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | IC50 | 8.16 | 7.71 | 6.9 | 2 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | Kd | 7.67 | 7.67 | 21.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3333 | hr | Rattus norvegicus |
| T1/2 | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17428923 | 10.1073/pnas.0605125104 | Unchecked | 21 |
| 17428923 | 10.1073/pnas.0605125104 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 7 |
| 17428923 | 10.1073/pnas.0605125104 | Rattus norvegicus | 3 |
| 17428923 | 10.1073/pnas.0605125104 | Plasma | 1 |
| 17428923 | 10.1073/pnas.0605125104 | ADMET | 1 |
| 17428923 | 10.1073/pnas.0605125104 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine