Compound Detail
CHEMBL3038104
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NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)O)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL3038104 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YXRCTRXDEJJNND-FSNQMYBVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1138.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.79
Kd 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL2501 | Kd | 6.76 | 6.76 | 173.8 | 1 |
| B1 bradykinin receptor CHEMBL4308 | IC50 | 5.79 | 5.79 | 1621.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Kd | = | 173.78 | nM | 6.76 | In vitro Bradykinin receptor B2 antagonist activity by using rat uterus function... | 8691478 |
| B1 bradykinin receptor | IC50 | = | 1621.81 | nM | 5.79 | In vitro Bradykinin receptor B1 antagonist activity in functional tissue within ... | 8691478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691478 | 10.1021/jm950716i | B2 bradykinin receptor | 1 |
| 8691478 | 10.1021/jm950716i | Rattus norvegicus | 1 |
| 8691478 | 10.1021/jm950716i | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine