Compound Detail
CHEMBL217307
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CCOc1ccc(C[C@H]2NC(=O)CCSSC[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 | CHEMBL217307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMKZQOXAFNYQLM-ZBXKLLDPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1097.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 7.28 | 7.0733 | 52.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 52.48 | nM | 7.28 | In vitro anti-oxytocic activity on isolated estrogen treated rat uteri without M... | 2909737 |
| Rattus norvegicus | Kd | = | 89.13 | nM | 7.05 | In vitro anti-oxytocic activity on isolated estrogen treated rat uteri with 0.5 ... | 2909737 |
| Rattus norvegicus | Kd | = | 128.82 | nM | 6.89 | Binding affinity was determined | 2909737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909737 | 10.1021/jm00121a043 | Rattus norvegicus | 5 |
| 2909737 | 10.1021/jm00121a043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine