Compound Detail
CHEMBL415417
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CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(C)(C)C)C(=O)NCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL415417 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | URAZGWXMGGTARC-LKFCXSFUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1023.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.13
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL3996 | Kd | 6.13 | 6.13 | 741.3 | 1 |
| Oxytocin receptor CHEMBL2049 | IC50 | 4.29 | 4.29 | 51700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Kd | = | 741.31 | nM | 6.13 | Antagonist activity in rat uterus by uterotonic assay | 17316912 |
| Oxytocin receptor | IC50 | = | 51700.0 | nM | 4.29 | Displacement of [3H]OT from human OT receptor expressed in HEK cells | 17316912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17316912 | 10.1016/j.ejmech.2006.12.016 | Oxytocin receptor | 5 |
Data from ChEMBL 36 via Core Engine