Compound Detail
CHEMBL266176
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NC(=O)CC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=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 | CHEMBL266176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRYSKEUMROCLKK-LKELJBIYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1137.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 7 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.35 | 7.6314 | 4.5 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 4.467 | nM | 8.35 | Tested for intravenous anti-vasopressor pA2 effect in rats | 6892930 |
| Rattus norvegicus | Kd | = | 4.467 | nM | 8.35 | Compound evaluated in vivo and negative logarithm of effective dose divided by e... | 7069719 |
| Rattus norvegicus | Kd | = | 7.079 | nM | 8.15 | Tested for intravenous anti-oxytocic effect in the absence of Mg2+ in rats | 6892930 |
| Rattus norvegicus | Kd | = | 47.86 | nM | 7.32 | In vitro anti-oxytocic potency was recorded in absence of Mg2+ in rat uteri | 7069719 |
| Rattus norvegicus | Kd | = | 53.7 | nM | 7.27 | In vitro anti-oxytocic potency was recorded in presence of 0.5 mM Mg2+ in rat ut... | 7069719 |
| Rattus norvegicus | Kd | = | 64.57 | nM | 7.19 | Tested for intravenous anti-oxytocic effect in the presence of Mg2+ in rats | 6892930 |
| Rattus norvegicus | Kd | = | 162.18 | nM | 6.79 | Tested for intravenous anti-oxytocic effect in in vivo in rats | 6892930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6892930 | 10.1021/jm00178a003 | Rattus norvegicus | 5 |
| 7069719 | 10.1021/jm00346a015 | Rattus norvegicus | 5 |
Data from ChEMBL 36 via Core Engine