Compound Detail
CHEMBL4097878
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CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)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]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4097878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOFYCTUSZAVSDG-MTKKRELOSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
4128.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | EC50 | 9.32 | 9.32 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Sus scrofa |
| T1/2 | 0.5167 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 0.48 | nM | 9.32 | Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed ... | 29064243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 8 |
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Unchecked | 2 |
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Mus musculus | 2 |
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Blood | 1 |
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine