Compound Detail
CHEMBL3900757
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3900757 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UHZRTPBKWLFDGJ-IWTRNUCXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2459.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 3 CHEMBL3711487 | IC50 | 4.52 | 4.52 | 30400.0 | 1 |
| Beta-adrenergic receptor kinase 1 CHEMBL3711550 | IC50 | 4.44 | 4.44 | 36500.0 | 1 |
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 4.21 | 4.21 | 61300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 3 | IC50 | = | 30400.0 | nM | 4.52 | Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as ... | 27362616 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 36500.0 | nM | 4.44 | Inhibition of bovine GRK2 expressed in Sf9 insect cells assessed as decrease in ... | 27362616 |
| G protein-coupled receptor kinase 5 | IC50 | = | 61300.0 | nM | 4.21 | Inhibition of recombinant human GRK5 expressed in Sf9 insect cells assessed as d... | 27362616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27362616 | 10.1021/acs.jmedchem.5b01939 | Beta-adrenergic receptor kinase 1 | 1 |
| 27362616 | 10.1021/acs.jmedchem.5b01939 | G protein-coupled receptor kinase 3 | 1 |
| 27362616 | 10.1021/acs.jmedchem.5b01939 | G protein-coupled receptor kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine