Compound Detail
CHEMBL3989926
SITRAVATINIB 🧪 Phase III
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🧪 Phase III
COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1
Basic Information
| ChEMBL ID | CHEMBL3989926 |
| Name | SITRAVATINIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WLAVZAAODLTUSW-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
Publications
5
Known Names
18
Indications
Molecular Properties
629.7
MW (Da)
6.52
ALogP
8
HBA
3
HBD
114.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Neoplasms Neoplasms Adenocarcinoma Biliary Tract Neoplasms Breast Neoplasms Carcinoma, Renal Cell Carcinoma, Renal Cell Carcinoma, Squamous Cell Endometrial Neoplasms Esophageal Neoplasms Liposarcoma Melanoma Small Cell Lung Carcinoma Uterine Cervical Neoplasms Liver Diseases Squamous Cell Carcinoma of Head and Neck
ATC Classification
L01EX26
sitravatinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 8 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 1.5 | nM | 8.82 | Inhibition of AXL (unknown origin) | 30188734 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of VEGFR2 (unknown origin) | 30248654 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of VEGFR2 (unknown origin) | 30188734 |
| High affinity nerve growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of TRKA (unknown origin) | 30188734 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 6.0 | nM | 8.22 | Inhibition of cKIT (unknown origin) | 30188734 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of FLT3 (unknown origin) | 30188734 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of TRKB (unknown origin) | 30188734 |
| Hepatocyte growth factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of c-MET (unknown origin) | 30248654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 30248654 | 10.1016/j.ejmech.2018.09.050 | Hepatocyte growth factor receptor | 1 |
| 30248654 | 10.1016/j.ejmech.2018.09.050 | Vascular endothelial growth factor receptor 2 | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | Mast/stem cell growth factor receptor Kit | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | Vascular endothelial growth factor receptor 2 | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | Tyrosine-protein kinase receptor UFO | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | BDNF/NT-3 growth factors receptor | 1 |
| 30188734 | 10.1021/acs.jmedchem.8b01092 | High affinity nerve growth factor receptor | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/EOS300033 | SARS-CoV-2 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine