Compound Detail
CHEMBL2105864
LABRADIMIL 🧪 Phase II
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🧪 Phase II
COc1ccc(C[C@@H](CN[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL2105864 |
| Name | LABRADIMIL |
| Phase | Phase II |
| Structure Type | BOTH |
| InChI Key | IDXCXSCCZNCXCL-XMADEQCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names
5
Indications
1
Mechanisms
Molecular Properties
1098.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bradykinin B2 receptor agonist | AGONIST | B2 bradykinin receptor | ✓ | ✓ |
Indications
Central Nervous System Neoplasms Brain Neoplasms Medulloblastoma Meningitis, Cryptococcal Paraganglioma
Activity Summary
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 19.0 | nM | 7.72 | Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO ce... | 10514288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514288 | 10.1021/jm9901529 | Homo sapiens | 2 |
| 10514288 | 10.1021/jm9901529 | B2 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine