Trade Names: | |
Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | B03BB01 |
UNII: | 935E97BOY8 |
InChI Key | OVBPIULPVIDEAO-LBPRGKRZSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H19N7O6 |
Molecular Weight | 441.4 |
AlogP | -0.04 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 213.28 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 32.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | 810-4800 | - | - | |
Enzyme
Transferase
|
- | - | - | 40000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 110 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 33 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Diabetes Mellitus, Type 2 | 4 | D003924 | ClinicalTrials |
Depressive Disorder | 4 | D003866 | ClinicalTrials |
Cleft Palate | 3 | D002972 | ClinicalTrials |
Hypertension | 3 | D006973 | ClinicalTrials |
Neural Tube Defects | 3 | D009436 | ClinicalTrials |
Tuberculosis | 3 | D014376 | ClinicalTrials |
Heart Diseases | 3 | D006331 | ClinicalTrials |
Malaria | 3 | D008288 | ClinicalTrials |
Lupus Erythematosus, Systemic | 3 | D008180 | ClinicalTrials |
Gingival Overgrowth | 3 | D019214 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
Arthritis, Rheumatoid | 3 | D001172 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 3 | D003922 | ClinicalTrials |
Cleft Lip | 3 | D002971 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Infertility, Male | 3 | D007248 | ClinicalTrials |
Epilepsy | 3 | D004827 | ClinicalTrials |
Hemorrhage | 3 | D006470 | ClinicalTrials |
Alzheimer Disease | 3 | D000544 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
HIV Infections | 2 | D015658 | ClinicalTrials |
Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
Autistic Disorder | 2 | D001321 | ClinicalTrials |
Abortion, Habitual | 2 | D000026 | ClinicalTrials |
Lymphoma, T-Cell, Peripheral | 2 | D016411 | ClinicalTrials |
Diabetic Nephropathies | 2 | D003928 | ClinicalTrials |
Infertility | 2 | D007246 | ClinicalTrials |
Lymphoma | 2 | D008223 | ClinicalTrials |
Mesothelioma | 2 | D008654 | ClinicalTrials |
Heart Failure | 2 | D006333 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Atherosclerosis | 2 | D050197 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Psychotic Disorders | 2 | D011618 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Uveitis | 2 | D014605 | ClinicalTrials |
Heavy Metal Poisoning | 2 | D000075322 | ClinicalTrials |
Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Myocardial Infarction | 2 | D009203 | ClinicalTrials |
Myocardial Ischemia | 2 | D017202 | ClinicalTrials |
Mucositis | 2 | D052016 | ClinicalTrials |
Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Lung Neoplasms | 2 | D008175 | ClinicalTrials |
Coronary Disease | 2 | D003327 | ClinicalTrials |
Fallopian Tube Neoplasms | 1 | D005185 | ClinicalTrials |
Lymphoma, Large-Cell, Anaplastic | 1 | D017728 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Lymphoma, T-Cell, Cutaneous | 1 | D016410 | ClinicalTrials |
Ovarian Neoplasms | 1 | D010051 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Mycosis Fungoides | 1 | D009182 | ClinicalTrials |
Pulmonary Alveolar Proteinosis | 1 | D011649 | ClinicalTrials |
Polycystic Ovary Syndrome | 1 | D011085 | ClinicalTrials |
Meningeal Carcinomatosis | 1 | D055756 | ClinicalTrials |
Sezary Syndrome | 1 | D012751 | ClinicalTrials |
Peritoneal Neoplasms | 1 | D010534 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 59-30-3 |
ChEBI | 27470 |
ChEMBL | CHEMBL1622 |
DrugBank | DB00158 |
DrugCentral | 1231 |
EPA CompTox | DTXSID0022519 |
FDA SRS | 935E97BOY8 |
Human Metabolome Database | HMDB0000121 |
Guide to Pharmacology | 4562 |
KEGG | C00504 |
PDB | FOL |
PharmGKB | PA449692 |
PubChem | 6037 |
SureChEMBL | SCHEMBL3876 |
ZINC | ZINC000008577218 |