Compound Detail
CHEMBL438829
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CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL438829 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SBNPWPIBESPSIF-JIFAMXAPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1431.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.45
Ki 1 meas. best 9.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 10.45 | 10.45 | 0.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 9.93 | 9.93 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 0.03548 | nM | 10.45 | The negative logarithm of the concentration of the antagonist that requires 2-fo... | 8385226 |
| Gonadotropin-releasing hormone receptor | Ki | = | 0.1175 | nM | 9.93 | The negative logarithm of the concentration of antagonist that inhibits 50% of t... | 8385226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8385226 | 10.1021/jm00059a020 | Rattus norvegicus | 2 |
| 8385226 | 10.1021/jm00059a020 | Gonadotropin-releasing hormone receptor | 1 |
| 8385226 | 10.1021/jm00059a020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine