Compound Detail
CHEMBL270995
BRIVANIB ALANINATE 🧪 Phase III
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🧪 Phase III
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL270995 |
| Name | BRIVANIB ALANINATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | LTEJRLHKIYCEOX-OCCSQVGLSA-N |
| Active Moiety | CHEMBL377300 |
9
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
6
Indications
2
Mechanisms
Molecular Properties
441.5
MW (Da)
3.42
ALogP
8
HBA
2
HBD
116.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Fibroblast growth factor receptor inhibitor | INHIBITOR | Fibroblast growth factor receptor | ✓ | ✓ |
| Vascular endothelial growth factor receptor inhibitor | INHIBITOR | Vascular endothelial growth factor receptor | ✓ | ✓ |
Indications
Colorectal Neoplasms Carcinoma, Renal Cell Uterine Cervical Neoplasms Carcinoma, Hepatocellular Neoplasms Neoplasms
Activity Summary
Kd 8 meas. best 8.52
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 2 CHEMBL5698 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | Kd | 5.98 | 5.98 | 1039.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | Kd | 5.72 | 5.72 | 1892.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Kd | 5.41 | 5.41 | 3896.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.19 | 5.19 | 6500.0 | 2 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Kd | 5.13 | 5.13 | 7483.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Kd | 5.07 | 5.07 | 8443.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Kd | 5.02 | 5.02 | 9488.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Kd | 4.34 | 4.34 | 46183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29191878 | 10.1126/science.aan4368 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| - | 10.6019/CHEMBL4495565 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | ADMET | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 18288793 | 10.1021/jm7013309 | Liver | 2 |
| 29191878 | 10.1126/science.aan4368 | Very long-chain specific acyl-CoA dehydrogenase, mitochondrial | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Acyl-CoA dehydrogenase family member 10 | 1 |
| 29191878 | 10.1126/science.aan4368 | Long-chain-fatty-acid--CoA ligase 5 | 1 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1B | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL2 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 29191878 | 10.1126/science.aan4368 | Atypical kinase COQ8A, mitochondrial | 1 |
| 29191878 | 10.1126/science.aan4368 | Uncharacterized aarF domain-containing protein kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine