Compound Detail
CHEMBL2028979
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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)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2028979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHNTXOZYACLFNG-ZGAVVQICSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1270.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Ki 1 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL4111 | Ki | 9.12 | 9.12 | 0.8 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 0.75 | nM | 9.12 | In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum. | 8388469 |
| Cavia porcellus | Kd | = | 5.012 | nM | 8.3 | pA2 value against guinea pig ileum. | 8388469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8388469 | 10.1021/jm00062a018 | B2 bradykinin receptor | 1 |
| 8388469 | 10.1021/jm00062a018 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine