Compound Detail
CHEMBL1793829
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C=C([C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)CC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL1793829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZFMUAZXNFWNCL-NHHPSZOVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1145.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4613 | Kd | 6.8 | 6.8 | 158.5 | 1 |
| B2 bradykinin receptor CHEMBL4111 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Kd | = | 158.49 | nM | 6.8 | Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal s... | 9986712 |
| B2 bradykinin receptor | Kd | = | 1995.26 | nM | 5.7 | Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitu... | 9986712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986712 | 10.1021/jm980495r | B1 bradykinin receptor | 1 |
| 9986712 | 10.1021/jm980495r | B2 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine