| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J05AB15 |
| UNII: | 2M3055079H |
Structure
| InChI Key | ODZBBRURCPAEIQ-PIXDULNESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13BrN2O5 |
| Molecular Weight | 333.14 |
| AlogP | -0.46 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 104.55 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 300 | - | 100 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL31634 |
| DrugBank | DB03312 |
| DrugCentral | 397 |
| EPA CompTox | DTXSID0045755 |
| FDA SRS | 2M3055079H |
| PDB | BVD |
| PubChem | 446727 |
| SureChEMBL | SCHEMBL99350 |
| ZINC | ZINC000003653378 |
CONTENTS