| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 778XL6VBS8 |
| Parent Compound: | LEVOLEUCOVORIN |
Structure
| InChI Key | KVUAALJSMIVURS-QNTKWALQSA-L |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H21CaN7O7 |
| Molecular Weight | 511.51 |
| AlogP | -0.73 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 7.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 219.84 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 1.185 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Colorectal Neoplasms | 4 | D015179 | ClinicalTrials |
| Colorectal Neoplasms | 4 | D015179 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Colonic Neoplasms | 3 | D003110 | ClinicalTrials |
| Carcinoma | 3 | D002277 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Carcinoma, Pancreatic Ductal | 1 | D021441 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1908361 |
| EPA CompTox | DTXSID3045564 |
| FDA SRS | 778XL6VBS8 |
| PubChem | 9892583 |
| SureChEMBL | SCHEMBL467144 |
CONTENTS