Synonyms: | |
Status: | Approved (1952) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | P01BA03 |
UNII: | MVR3634GX1 |
InChI Key | INDBQLZJXZLFIT-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H21N3O |
Molecular Weight | 259.35 |
AlogP | 2.78 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 60.17 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 19.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 7500 | - | - | - | |
Enzyme
Transferase
|
- | 2900 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 32700-53120 | - | - | - | |
Transporter
|
- | 32700-53120 | - | - | - | |
Unclassified protein
|
- | 6200-75000 | - | - | 81-94 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Malaria | 4 | D008288 | ClinicalTrials |
Malaria, Falciparum | 3 | D016778 | ClinicalTrials |
Malaria, Vivax | 3 | D016780 | ClinicalTrials |
Pneumonia, Pneumocystis | 3 | D011020 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Glucosephosphate Dehydrogenase Deficiency | 1 | D005955 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 90-34-6 |
ChEBI | 8405 |
ChEMBL | CHEMBL506 |
DrugBank | DB01087 |
DrugCentral | 2266 |
EPA CompTox | DTXSID8023509 |
FDA SRS | MVR3634GX1 |
Human Metabolome Database | HMDB0015219 |
Guide to Pharmacology | 9952 |
KEGG | C07627 |
PharmGKB | PA451103 |
PubChem | 4908 |
SureChEMBL | SCHEMBL22207 |