Compound Detail
CHEMBL133164
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NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1(C(=O)N[C@@H](CO)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)CCCCCCCC1
Basic Information
| ChEMBL ID | CHEMBL133164 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RUVJEKYJZGQGDH-VGFLLKSVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
895.1
MW (Da)
-0.43
ALogP
10
HBA
10
HBD
340.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4613 | Kd | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Kd | = | 6309.57 | nM | 5.2 | Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal s... | 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