Compound Detail
CHEMBL4278500
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COc1ccc(C[C@@H](NC(=O)C[Se]c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4278500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFMOMCUBAFFPQJ-MFVUMRCOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1206.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Kd 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Kd | 9.49 | 9.49 | 0.3 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 9.05 | 8.47 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Kd | = | 0.32 | nM | 9.49 | Binding affinity to human V1A receptor expressed in CHO cells after 4 hrs by RP-... | 30395477 |
| Vasopressin V1a receptor | Ki | = | 0.9 | nM | 9.05 | Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells... | 30395477 |
| Vasopressin V1a receptor | Ki | = | 12.9 | nM | 7.89 | Displacement of [Ph-Se-acetyl]-LVA from human V1A receptor expressed in CHO cell... | 30395477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30395477 | 10.1021/acs.jmedchem.8b01320 | Vasopressin V1a receptor | 4 |
Data from ChEMBL 36 via Core Engine