| Synonyms: | |
| Status: | Approved (2021) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01EK03 |
| UNII: | 172030934T |
| InChI Key | SPMVMDHWKHCIDT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H19ClN4O5 |
| Molecular Weight | 454.87 |
| AlogP | 5.64 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 107.74 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 32.0 |
| Primary Target | |
|---|---|
| fms related receptor tyrosine kinase 1 | |
| fms related receptor tyrosine kinase 4 | |
| kinase insert domain receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Eph family
|
- | 18 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 2 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase VEGFR family
|
- | 0-340 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Carcinoma, Renal Cell | 3 | D002292 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Cholangiocarcinoma | 1 | D018281 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 475108-18-0 |
| ChEBI | 91327 |
| ChEMBL | CHEMBL1289494 |
| DrugBank | DB11800 |
| DrugCentral | 5258 |
| FDA SRS | 172030934T |
| Guide to Pharmacology | 6058 |
| PDB | AV9 |
| PubChem | 9911830 |
| SureChEMBL | SCHEMBL172883 |
| ZINC | ZINC000001489430 |