Compound Detail
CHEMBL3349853
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)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 | CHEMBL3349853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHXFVTBPYHTSFC-MEVCNIFHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1016.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 6.16 | 5.6533 | 691.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 691.83 | nM | 6.16 | In vitro anti-oxytocic activity in rat uterus (no Mg2+) | 7069720 |
| Rattus norvegicus | Kd | = | 1621.81 | nM | 5.79 | Antivasopressor activity in rats. | 7069720 |
| Rattus norvegicus | Kd | = | 9772.37 | nM | 5.01 | In vitro anti-oxytocic activity in rat uterus (0.5 mM Mg2+) | 7069720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7069720 | 10.1021/jm00346a016 | Rattus norvegicus | 5 |
Data from ChEMBL 36 via Core Engine