Compound Detail
CHEMBL2370700
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NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL2370700 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AGNBGVFSXGZENP-YIQRHQHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1282.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4613 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| B2 bradykinin receptor CHEMBL4111 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Kd | = | 7.943 | nM | 8.1 | Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal s... | 9986712 |
| B2 bradykinin receptor | Kd | = | 3162.28 | nM | 5.5 | 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