Compound Detail
CHEMBL318127
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CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccn1)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL318127 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VMEOEPBKWXIVRE-KJZOHYGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
882.5
MW (Da)
1.99
ALogP
9
HBA
7
HBD
247.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 550.0 | nM | 6.26 | Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-... | 10956191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956191 | 10.1021/jm990433g | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine