Compound Detail
CHEMBL2370977
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CC(C)[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 | CHEMBL2370977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTPKAQCWQHOBMR-YHKRPXQSSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1108.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 7 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.41 | 7.82 | 3.9 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 3.89 | nM | 8.41 | Antivasopressor activity in rats. | 7069720 |
| Rattus norvegicus | Kd | = | 3.89 | nM | 8.41 | In vivo pA2 value represent the negative logarithm of the effective dose divided... | 7086821 |
| Rattus norvegicus | Kd | = | 7.762 | nM | 8.11 | In vitro anti-oxytocic activity in rat uterus (no Mg2+) | 7069720 |
| Rattus norvegicus | Kd | = | 16.6 | nM | 7.78 | In vitro anti-oxytocic activity in rat uterus (0.5 mM Mg2+) | 7069720 |
| Rattus norvegicus | Kd | = | 30.9 | nM | 7.51 | Antiantidiuretic activity in rats. | 7069720 |
| Rattus norvegicus | Kd | = | 30.9 | nM | 7.51 | In vivo pA2 value represent the negative logarithm of the effective dose divided... | 7086821 |
| Rattus norvegicus | Kd | = | 97.72 | nM | 7.01 | 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 |
| 7086821 | 10.1021/jm00343a009 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine