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 |