Compound Detail
CHEMBL2372297
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CCOc1ccc(C[C@@H]2NC(=O)CC(CC)(CC)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL2372297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDPBWPNOTVHKBY-XMDRUOKISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1153.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.46 | 8.2967 | 3.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 3.467 | nM | 8.46 | In vivo anti-vasopressor activity measured as the negative logarithm of the effe... | 4045923 |
| Rattus norvegicus | Kd | = | 3.715 | nM | 8.43 | In vitro anti-oxytocic potency was evaluated in the absence of Mg2+ | 4045923 |
| Rattus norvegicus | Kd | = | 10.0 | nM | 8.0 | In vitro anti-oxytocic potency was evaluated in the presence of 0.5 mM of Mg2+ | 4045923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4045923 | 10.1021/jm00148a019 | Rattus norvegicus | 4 |
| 4045923 | 10.1021/jm00148a019 | Vasopressin receptor | 1 |
Data from ChEMBL 36 via Core Engine