Compound Detail
CHEMBL4467042
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@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4467042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJIXYNMOHDVAEO-VNHOCEMUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1007.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | EC50 | = | 0.15 | nM | 9.82 | Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as ... | 30896946 |
| Oxytocin receptor | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membr... | 30896946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30896946 | 10.1021/acs.jmedchem.8b01691 | Oxytocin receptor | 3 |
| 30896946 | 10.1021/acs.jmedchem.8b01691 | Unchecked | 2 |
| 30896946 | 10.1021/acs.jmedchem.8b01691 | Vasopressin V1a receptor | 1 |
| 30896946 | 10.1021/acs.jmedchem.8b01691 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine