| Synonyms: | |
| Status: | Approved (1952) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | P01BA03 |
| UNII: | MVR3634GX1 |
Structure
| InChI Key | INDBQLZJXZLFIT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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 |
Indications
| 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 |
Related Entries
Cross References
| 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 |
CONTENTS