Compound Detail
CHEMBL218749
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NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@]1(Cc2ccccc2)CCCC2N(C1=O)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CC21CCCC1
Basic Information
| ChEMBL ID | CHEMBL218749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCDYDSNMIMDUJL-MTFKKOOHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1332.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 3162.28 | nM | 5.5 | Binding affinity to human bradykinin B2 receptor transfected in CHO cells | 16504505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16504505 | 10.1016/j.bmcl.2006.01.125 | B2 bradykinin receptor | 2 |
Data from ChEMBL 36 via Core Engine