Compound Detail
CHEMBL3809489
BEMCENTINIB 🧪 Phase II
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🧪 Phase II
Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2
Basic Information
| ChEMBL ID | CHEMBL3809489 |
| Name | BEMCENTINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KXMZDGSRSGHMMK-VWLOTQADSA-N |
19
Targets
41
Activities
1
Assay Types
0
PK Parameters
20
Publications
14
Known Names
12
Indications
1
Mechanisms
Molecular Properties
506.7
MW (Da)
4.88
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO inhibitor | INHIBITOR | Tyrosine-protein kinase receptor UFO | ✓ | ✓ |
Indications
Adenocarcinoma of Lung Carcinoma, Non-Small-Cell Lung Inflammatory Breast Neoplasms Mesothelioma Severe Acute Respiratory Syndrome Colorectal Neoplasms Leukemia, Myeloid, Acute Melanoma Myelodysplastic Syndromes Neoplasms Pancreatic Neoplasms Central Nervous System Neoplasms
Activity Summary
IC50 41 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 9.15 | 7.9671 | 0.7 | 17 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.05 | 8.6567 | 0.9 | 3 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 7.82 | 6.7067 | 15.0 | 3 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.0 | 6.9533 | 98.8 | 3 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.94 | 6.94 | 114.6 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine