Compound Detail
CHEMBL2103842
VARLITINIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2103842 |
| Name | VARLITINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UWXSAYUXVSFDBQ-CYBMUJFWSA-N |
10
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
9
Indications
2
Mechanisms
Molecular Properties
466.9
MW (Da)
5.25
ALogP
9
HBA
2
HBD
93.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Epidermal growth factor receptor erbB1 inhibitor | INHIBITOR | Epidermal growth factor receptor | ✓ | ✓ |
| Receptor protein-tyrosine kinase erbB-2 inhibitor | INHIBITOR | Receptor tyrosine-protein kinase erbB-2 | ✓ | ✓ |
Indications
Biliary Tract Neoplasms Breast Neoplasms Cholangiocarcinoma Stomach Neoplasms Stomach Neoplasms Carcinoma, Hepatocellular Neoplasms Neoplasms Pancreatic Neoplasms
Activity Summary
IC50 10 meas. best 8.7
Kd 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | Kd | 7.06 | 7.06 | 88.0 | 1 |
| Tyrosine-protein kinase Yes CHEMBL2073 | Kd | 6.49 | 6.49 | 321.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | Kd | 6.09 | 6.09 | 810.0 | 1 |
| HCC70 CHEMBL1075461 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Hs-578T CHEMBL614645 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| HCC1937 CHEMBL1075458 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Ferrochelatase, mitochondrial CHEMBL3879831 | Kd | 4.12 | 4.12 | 76413.0 | 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/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Beta-adrenergic receptor kinase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Adenosine kinase | 1 |
| 29191878 | 10.1126/science.aan4368 | AarF domain-containing protein kinase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-2B | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1B | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 1 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 29191878 | 10.1126/science.aan4368 | Acyl-CoA dehydrogenase family member 11 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL1 | 1 |
| 29191878 | 10.1126/science.aan4368 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine