Compound Detail
CHEMBL3349504
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CC[C@@H](C)[C@H]1NC(=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)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3349504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEDADTLYAYNOHV-BLCDEMBQSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1058.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 7.98 | 7.328 | 10.5 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 10.47 | nM | 7.98 | Antiantidiuretic activity in rats. | 7069720 |
| Rattus norvegicus | Kd | = | 10.47 | nM | 7.98 | In vitro anti-oxytocic activity in rat uterus (no Mg2+) | 7069720 |
| Rattus norvegicus | Kd | = | 29.51 | nM | 7.53 | In vitro anti-oxytocic activity in rat uterus (0.5 mM Mg2+) | 7069720 |
| Rattus norvegicus | Kd | = | 114.82 | nM | 6.94 | Antivasopressor activity in rats. | 7069720 |
| Rattus norvegicus | Kd | = | 616.6 | nM | 6.21 | In vivo anti-oxytocic activity in rat uterus | 7069720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7069720 | 10.1021/jm00346a016 | Rattus norvegicus | 8 |
| 7069720 | 10.1021/jm00346a016 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine