Compound Detail
CHEMBL412984
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CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)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 | CHEMBL412984 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DPDLLWHIDCKKEA-VOIYBZDDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1452.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.44
Ki 1 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor CHEMBL2456 | Ki | 10.74 | 10.74 | 0.0 | 1 |
| Lutropin-choriogonadotropic hormone receptor CHEMBL2456 | Kd | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor | Ki | = | 0.0182 | nM | 10.74 | In vitro binding affinity for Luteinizing hormone releasing hormone receptor fro... | 2552116 |
| Lutropin-choriogonadotropic hormone receptor | Kd | = | 0.3631 | nM | 9.44 | In vivo inhibition of leutenising hormone in rats. | 2552116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552116 | 10.1021/jm00130a019 | Lutropin-choriogonadotropic hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine