Compound Detail
CHEMBL2369941
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CCCC1C[C@H](C(=O)N2C3CCCCC3C[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N(C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccsc2)NC(=O)CNC(=O)[C@@H]2CC[C@H](O)N2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C1
Basic Information
| ChEMBL ID | CHEMBL2369941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIQHZBCJWSSORO-GHBARMRASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1284.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.5
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL4111 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 0.16 | nM | 9.8 | In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum. | 8388469 |
| Cavia porcellus | Kd | = | 3.162 | nM | 8.5 | 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