Compound Detail
CHEMBL4106296
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=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](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=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](CCCCN)CC(=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](CC(=O)O)CC(=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](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4106296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUCHPMOWLLDGCJ-OBASUGJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4250.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | EC50 | 9.89 | 9.83 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 0.13 | nM | 9.89 | Agonist activity at PTH1 receptor (unknown origin) assessed as induction of cAMP | 29851477 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 0.17 | nM | 9.77 | 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 | 5 |
| 29064243 | 10.1021/acs.jmedchem.7b00876 | Unchecked | 1 |
| 29851477 | 10.1021/acs.jmedchem.8b00378 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 1 |
Data from ChEMBL 36 via Core Engine