Compound Detail
CHEMBL437631
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CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL437631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFHMMFXCDAAKNP-WZBMUOIOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1028.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL2344 | Kd | 7.48 | 7.48 | 33.0 | 1 |
| Vasopressin V1 receptor CHEMBL2095221 | Kd | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Kd | = | 33.0 | nM | 7.48 | Binding affinity against plasma membrane from bovine kidney inner medulla | 2416923 |
| Vasopressin V1 receptor | Kd | = | 310.0 | nM | 6.51 | Binding affinity against plasma membrane from rat liver | 2416923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2416923 | 10.1021/jm00151a016 | Rattus norvegicus | 2 |
| 2416923 | 10.1021/jm00151a016 | Vasopressin V2 receptor | 2 |
| 2416923 | 10.1021/jm00151a016 | Vasopressin V1 receptor | 2 |
| 2416923 | 10.1021/jm00151a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine