| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A14AB01 |
| UNII: | 6PG9VR430D |
Structure
| InChI Key | NPAGDVCDWIYMMC-IZPLOLCNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H26O2 |
| Molecular Weight | 274.4 |
| AlogP | 3.49 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 37.3 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Secreted protein
|
- | - | 501 | 724 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 35100 | - | - | 79 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anemia, Aplastic | 3 | D000741 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 434-22-0 |
| ChEBI | 7466 |
| ChEMBL | CHEMBL757 |
| DrugBank | DB13169 |
| DrugCentral | 1879 |
| EPA CompTox | DTXSID7023350 |
| FDA SRS | 6PG9VR430D |
| Human Metabolome Database | HMDB0002725 |
| Guide to Pharmacology | 6949 |
| KEGG | C07254 |
| PDB | 6VW |
| PharmGKB | PA164746281 |
| PubChem | 9904 |
| SureChEMBL | SCHEMBL20140 |
| ZINC | ZINC000003814379 |
CONTENTS