Compound Detail
CHEMBL267822
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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 | CHEMBL267822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCDYDSNMIMDUJL-OYXXEQSESA-N |
1
Targets
2
Activities
2
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
Kd 1 meas. best 5.6
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| B2 bradykinin receptor CHEMBL3157 | Kd | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity to human bradykinin B2 receptor transfected in CHO cells | 16504505 |
| B2 bradykinin receptor | Kd | = | 2511.89 | nM | 5.6 | Antagonist activity against bradykinin B2 receptor | 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