Trade Names: | |
Synonyms: | |
Status: | Approved (1952) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | RPR1R4C0P4 |
Parent Compound: | LEUCOVORIN |
InChI Key | KVUAALJSMIVURS-ZEDZUCNESA-L |
---|---|
Smile | |
InChI |
|
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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 81 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Neuroendocrine Tumors | 3 | D018358 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Carcinoma | 3 | D002277 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Leukemia | 3 | D007938 | ClinicalTrials |
Lymphoma | 3 | D008223 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Down Syndrome | 3 | D004314 | ClinicalTrials |
Carcinoma, Pancreatic Ductal | 3 | D021441 | ClinicalTrials |
Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
Medulloblastoma | 3 | D008527 | ClinicalTrials |
Brain Neoplasms | 3 | D001932 | ClinicalTrials |
Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
Biliary Tract Neoplasms | 3 | D001661 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Nasopharyngeal Neoplasms | 3 | D009303 | ClinicalTrials |
Colonic Neoplasms | 3 | D003110 | ClinicalTrials |
Cholangiocarcinoma | 3 | D018281 | ClinicalTrials |
Neuroectodermal Tumors, Primitive | 3 | D018242 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
Head and Neck Neoplasms | 3 | D006258 | ClinicalTrials |
Rectal Neoplasms | 3 | D012004 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Adenocarcinoma, Mucinous | 3 | D002288 | ClinicalTrials |
Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
Neoplasm Metastasis | 3 | D009362 | ClinicalTrials |
Cholangiocarcinoma | 3 | D018281 | ClinicalTrials |
Leukemia, Biphenotypic, Acute | 3 | D015456 | ClinicalTrials |
Pneumonia, Pneumocystis | 3 | D011020 | ClinicalTrials |
Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Brain Neoplasms | 3 | D001932 | ClinicalTrials |
Liver Neoplasms | 3 | D008113 | ClinicalTrials |
Biliary Tract Neoplasms | 3 | D001661 | ClinicalTrials |
Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
Choroid Plexus Neoplasms | 3 | D016545 | ClinicalTrials |
Colonic Neoplasms | 3 | D003110 | ClinicalTrials |
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054218 | ClinicalTrials |
Rectal Neoplasms | 3 | D012004 | ClinicalTrials |
Carcinoma, Signet Ring Cell | 3 | D018279 | ClinicalTrials |
Colorectal Neoplasms, Hereditary Nonpolyposis | 3 | D003123 | ClinicalTrials |
Leukemia, Biphenotypic, Acute | 3 | D015456 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
Peritoneal Neoplasms | 2 | D010534 | ClinicalTrials |
Uveitis | 2 | D014605 | ClinicalTrials |
Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Multiple Myeloma | 2 | D009101 | ClinicalTrials |
Peritoneal Neoplasms | 2 | D010534 | ClinicalTrials |
Carcinoma, Neuroendocrine | 2 | D018278 | ClinicalTrials |
Lymphoma, Large-Cell, Anaplastic | 2 | D017728 | ClinicalTrials |
Peripheral Nervous System Diseases | 2 | D010523 | ClinicalTrials |
Asperger Syndrome | 2 | D020817 | ClinicalTrials |
Autistic Disorder | 2 | D001321 | ClinicalTrials |
Digestive System Neoplasms | 2 | D004067 | ClinicalTrials |
Digestive System Neoplasms | 2 | D004067 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Carcinoma, Islet Cell | 2 | D018273 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Toxoplasmosis, Cerebral | 2 | D016781 | ClinicalTrials |
Histiocytosis, Langerhans-Cell | 2 | D006646 | ClinicalTrials |
Appendiceal Neoplasms | 2 | D001063 | ClinicalTrials |
Hodgkin Disease | 2 | D006689 | ClinicalTrials |
Myelodysplastic Syndromes | 2 | D009190 | ClinicalTrials |
Lymphoma, T-Cell, Peripheral | 2 | D016411 | ClinicalTrials |
Lymphoma, AIDS-Related | 2 | D016483 | ClinicalTrials |
Burkitt Lymphoma | 2 | D002051 | ClinicalTrials |
Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
Osteosarcoma | 2 | D012516 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Gestational Trophoblastic Disease | 2 | D031901 | ClinicalTrials |
Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
Toxoplasmosis | 1 | D014123 | ClinicalTrials |
Astrocytoma | 1 | D001254 | ClinicalTrials |
Oligodendroglioma | 1 | D009837 | ClinicalTrials |
Tay-Sachs Disease | 1 | D013661 | ClinicalTrials |
Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Carcinoma, Renal Cell | 1 | D002292 | ClinicalTrials |
Gliosarcoma | 1 | D018316 | ClinicalTrials |
Fallopian Tube Neoplasms | 1 | D005185 | ClinicalTrials |
Urinary Bladder Neoplasms | 1 | D001749 | ClinicalTrials |
Carcinoma, Merkel Cell | 1 | D015266 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Gastrointestinal Stromal Tumors | 1 | D046152 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Myeloproliferative Disorders | 1 | D009196 | ClinicalTrials |
Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Sandhoff Disease | 1 | D012497 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 31340 |
ChEMBL | CHEMBL1201138 |
EPA CompTox | DTXSID20872448 |
FDA SRS | RPR1R4C0P4 |
PubChem | 78759347 |
SureChEMBL | SCHEMBL18573 |