| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3KG76X4KJK |
Structure
| InChI Key | CGVWPQOFHSAKRR-NDEPHWFRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C34H41N3O7 |
| Molecular Weight | 603.72 |
| AlogP | 5.02 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 15.0 |
| Polar Surface Area | 117.15 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 44.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | 17 | - | - | - | |
|
Enzyme
|
- | 17 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 5000 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 5180 | - | - | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135847 |
| ChEMBL | CHEMBL350775 |
| DrugBank | DB04851 |
| EPA CompTox | DTXSID50893944 |
| FDA SRS | 3KG76X4KJK |
| PharmGKB | PA164924560 |
| PubChem | 3037617 |
| SureChEMBL | SCHEMBL154547 |
CONTENTS