| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2009) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01BA05 |
| UNII: | A8Q8I19Q20 |
Structure
| InChI Key | OGSBUKJUDHAQEA-WMCAAGNKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H23N7O5 |
| Molecular Weight | 477.48 |
| AlogP | 0.98 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 207.3 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 35.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Dihydrofolate reductase inhibitor | DailyMed |
| Primary Target | |
|---|---|
| dihydrofolate reductase |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
|
- | 168 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC19 family of vitamin transporters
|
- | 1 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC46 family of folate transporters
|
- | 57 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Lymphoma, T-Cell, Peripheral | 4 | D016411 | ClinicalTrials |
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 4 | D016411 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Leukemia-Lymphoma, Adult T-Cell | 2 | D015459 | ClinicalTrials |
| Ovarian Neoplasms | 1 | D010051 | ClinicalTrials |
| Lymphoma, T-Cell, Cutaneous | 1 | D016410 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Lymphoma, Large-Cell, Anaplastic | 1 | D017728 | ClinicalTrials |
| Sezary Syndrome | 1 | D012751 | ClinicalTrials |
| Mycosis Fungoides | 1 | D009182 | ClinicalTrials |
| Peritoneal Neoplasms | 1 | D010534 | ClinicalTrials |
| Fallopian Tube Neoplasms | 1 | D005185 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 146464-95-1 |
| ChEBI | 71223 |
| ChEMBL | CHEMBL1201746 |
| DrugBank | DB06813 |
| DrugCentral | 4117 |
| EPA CompTox | DTXSID3048578 |
| FDA SRS | A8Q8I19Q20 |
| Guide to Pharmacology | 6840 |
| PubChem | 148121 |
| SureChEMBL | SCHEMBL21633 |
CONTENTS