Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | V3DMU7PVXF |
InChI Key | BXNMTOQRYBFHNZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H22N4O2 |
Molecular Weight | 314.39 |
AlogP | 2.47 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 86.19 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 23.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 2056 | - | - | - | |
Membrane receptor
Toll-like and Il-1 receptors
|
250-1500 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Oligodendroglioma | 2 | D009837 | ClinicalTrials |
Astrocytoma | 2 | D001254 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Lymphoma, T-Cell, Cutaneous | 2 | D016410 | ClinicalTrials |
Keratosis, Actinic | 2 | D055623 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Influenza, Human | 1 | D007251 | ClinicalTrials |
Carcinoma, Basal Cell | 1 | D002280 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Hepatitis B, Chronic | 1 | D019694 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 144875-48-9 |
ChEBI | 36706 |
ChEMBL | CHEMBL383322 |
DrugBank | DB06530 |
EPA CompTox | DTXSID7040603 |
FDA SRS | V3DMU7PVXF |
Guide to Pharmacology | 5051 |
PDB | RX8 |
PubChem | 159603 |
SureChEMBL | SCHEMBL34159 |
ZINC | ZINC000028572103 |