Compound Detail
CHEMBL4513567
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CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4513567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOIKEWNUBVHFRG-PFAGHSOOSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1029.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 47.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | EC50 | = | 380.0 | nM | 6.42 | In Vitro V2 Receptor Assay: Agonist activity of compounds on the human V2 recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31022340 | 10.1021/acs.jmedchem.9b00132 | ADMET | 3 |
| 31022340 | 10.1021/acs.jmedchem.9b00132 | Vasopressin V2 receptor | 1 |
| 31022340 | 10.1021/acs.jmedchem.9b00132 | Vasopressin V1b receptor | 1 |
| 31022340 | 10.1021/acs.jmedchem.9b00132 | Unchecked | 1 |
| 31022340 | 10.1021/acs.jmedchem.9b00132 | Vasopressin V1a receptor | 1 |
| 31022340 | 10.1021/acs.jmedchem.9b00132 | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine