Trade Names: | |
Synonyms: | |
Status: | Approved (2004) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 2PKU919BA9 |
Parent Compound: | PEMETREXED |
InChI Key | NYDXNILOWQXUOF-GXKRWWSZSA-L |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C20H19N5Na2O6 |
Molecular Weight | 471.38 |
AlogP | 0.67 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 191.26 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 31.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Dihydrofolate reductase inhibitor | DailyMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | 2040 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Carcinoma, Non-Small-Cell Lung | 4 | D002289 | ClinicalTrials |
Neoplasm Metastasis | 3 | D009362 | ClinicalTrials |
Mesothelioma | 3 | D008654 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Carcinoma, Squamous Cell | 3 | D002294 | ClinicalTrials |
Mesothelioma | 3 | D008654 | ClinicalTrials |
Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Gestational Trophoblastic Disease | 2 | D031901 | ClinicalTrials |
Stomach Neoplasms | 2 | D013274 | ClinicalTrials |
Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
Peritoneal Neoplasms | 2 | D010534 | ClinicalTrials |
Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
Urethral Neoplasms | 2 | D014523 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Salivary Gland Neoplasms | 2 | D012468 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Adenocarcinoma of Lung | 2 | D000077192 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Urogenital Neoplasms | 2 | D014565 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
Thymoma | 2 | D013945 | ClinicalTrials |
Thymoma | 2 | D013945 | ClinicalTrials |
Endometrial Neoplasms | 2 | D016889 | ClinicalTrials |
Adenocarcinoma, Bronchiolo-Alveolar | 2 | D002282 | ClinicalTrials |
Carcinoma, Large Cell | 2 | D018287 | ClinicalTrials |
Lymphoma | 1 | D008223 | ClinicalTrials |
Fallopian Tube Neoplasms | 1 | D005185 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 63722 |
ChEMBL | CHEMBL2360464 |
EPA CompTox | DTXSID8046660 |
FDA SRS | 2PKU919BA9 |
PDB | LYA |
PubChem | 101068009 |
SureChEMBL | SCHEMBL18348 |
ZINC | ZINC01540998 |