Compound Detail
CHEMBL438099
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CC(C)C[C@H](NC(=O)[C@H](CCCCNCc1cc(O)c2c(c1)C(=O)c1cc(C(=O)O)cc(O)c1C2=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL438099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMIHBYVRQPZLRA-GZTIKPOLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1565.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.25 | nM | 9.6 | Evaluated for gonadotropin-releasing hormone receptor binding by displacing the ... | 11606129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606129 | 10.1021/jm010112g | Gonadotropin-releasing hormone receptor | 1 |
| 11606129 | 10.1021/jm010112g | Lutropin-choriogonadotropic hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine