Compound Detail
CHEMBL406213
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CCC1(CC)CC(=O)N[C@@H](Cc2ccc(O)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)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)CSS1
Basic Information
| ChEMBL ID | CHEMBL406213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNOPIYURMUKQFN-NGLKSGHVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1096.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.18 | 7.56 | 6.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 6.607 | nM | 8.18 | Compound evaluated in vivo and negative logarithm of effective dose divided by e... | 7069719 |
| Rattus norvegicus | Kd | = | 51.29 | nM | 7.29 | In vitro anti-oxytocic potency was recorded in absence of Mg2+ in rat uteri | 7069719 |
| Rattus norvegicus | Kd | = | 61.66 | nM | 7.21 | In vitro anti-oxytocic potency was recorded in presence of 0.5 mM Mg2+ in rat ut... | 7069719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7069719 | 10.1021/jm00346a015 | Rattus norvegicus | 5 |
Data from ChEMBL 36 via Core Engine