Compound Detail
CHEMBL440257
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NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL440257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REHYBLOKSSFQFM-VLNJVXJUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1200.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 10.15 | 10.15 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 0.07 | nM | 10.15 | Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO ce... | 10514289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514289 | 10.1021/jm9901531 | Homo sapiens | 2 |
| 10514289 | 10.1021/jm9901531 | B2 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine