Compound Detail
CHEMBL414391
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C/N=C(\NC#N)NCCCC[C@@H](NC(=O)[C@H](CCCCN/C(=N\C)NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL414391 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MBXFWMGSHBYZHX-SZVWHOLFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1408.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Kd | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Kd | = | 0.24 | nM | 9.62 | In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measu... | 1714956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1714956 | 10.1021/jm00112a013 | Gonadotropin-releasing hormone receptor | 1 |
| 1714956 | 10.1021/jm00112a013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine