Compound Detail
CHEMBL407123
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CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=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](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL407123 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PLQSHIMBNZAMSU-AIIVEDNBSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1337.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor CHEMBL2456 | Ki | 10.37 | 10.37 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.5 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.0 | hr | - |
| T1/2 | 0.7833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor | Ki | = | 0.04266 | nM | 10.37 | Negative logarithm of equilibrium dissociation constant in the rat pituitary lut... | 1433199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433199 | 10.1021/jm00099a017 | Rattus norvegicus | 3 |
| 1433199 | 10.1021/jm00099a017 | Lutropin-choriogonadotropic hormone receptor | 1 |
| 1433199 | 10.1021/jm00099a017 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine