Synonyms: | |
Status: | Approved (2022) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | G22N65IL3O |
InChI Key | HWXVIOGONBBTBY-ONEGZZNKSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C28H32N4O3 |
Molecular Weight | 472.59 |
AlogP | 4.96 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 68.74 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 35.0 |
Primary Target | |
---|---|
Janus kinase 2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | - | - | - | 20 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 20 | |
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase CDK family
CMGC protein kinase CDC2 subfamily
|
- | 3900 | - | - | - | |
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakA family
|
- | 1-23 | - | - | 92 | |
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakB family
|
- | 1-23 | - | - | 92 | |
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 6-23 | - | - | 83-96 | |
Other cytosolic protein
|
- | 3900 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Leukemia | 2 | D007938 | ClinicalTrials |
Hodgkin Disease | 2 | D006689 | ClinicalTrials |
Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
Primary Myelofibrosis | 2 | D055728 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Primary Myelofibrosis | 2 | D055728 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Myeloproliferative Disorders | 2 | D009196 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Graft vs Host Disease | 1 | D006086 | ClinicalTrials |
Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 937272-79-2 |
ChEMBL | CHEMBL2035187 |
DrugBank | DB11697 |
FDA SRS | G22N65IL3O |
Guide to Pharmacology | 7793 |
PDB | 6T3 |
PubChem | 46216796 |
SureChEMBL | SCHEMBL1108221 |
ZINC | ZINC000043153645 |