Synonyms: | |
Status: | Approved (2006) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A10BH01 |
UNII: | QFP0P1DV7Z |
InChI Key | MFFMDFFZMYYVKS-SECBINFHSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H15F6N5O |
Molecular Weight | 407.32 |
AlogP | 2.02 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 77.04 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 28.0 |
Primary Target | |
---|---|
dipeptidyl peptidase 4 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | 11000 | - | - | - | |
Enzyme
Protease
Serine protease
Serine protease SC clan
Serine protease S28 family
|
- | 59830 | - | - | - | |
Enzyme
Protease
Serine protease
Serine protease SC clan
Serine protease S9B subfamily
|
- | 4-120 | 5-14 | - | 11-102 | |
Enzyme
Protease
Serine protease
|
- | 4-120 | 5-14 | - | 11-102 | |
Epigenetic regulator
Writer
Protein methyltransferase
SET domain
|
- | - | - | - | 6 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Diabetes Mellitus | 4 | D003920 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Diabetic Foot | 3 | D017719 | ClinicalTrials |
Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
Graft vs Host Disease | 2 | D006086 | ClinicalTrials |
Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
Glucose Intolerance | 2 | D018149 | ClinicalTrials |
Glucose Intolerance | 2 | D018149 | ClinicalTrials |
HIV Infections | 2 | D015658 | ClinicalTrials |
Psoriasis | 2 | D011565 | ClinicalTrials |
Hyperlipidemias | 2 | D006949 | ClinicalTrials |
Prediabetic State | 2 | D011236 | ClinicalTrials |
Obesity | 2 | D009765 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
Hepatitis C | 1 | D006526 | ClinicalTrials |
Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
Heart Failure | 0 | D006333 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 486460-32-6 |
ChEBI | 40237 |
ChEMBL | CHEMBL1422 |
DrugBank | DB01261 |
DrugCentral | 2448 |
EPA CompTox | DTXSID70197572 |
FDA SRS | QFP0P1DV7Z |
Human Metabolome Database | HMDB0015390 |
Guide to Pharmacology | 6286 |
PDB | 715 |
PharmGKB | PA164748978 |
PubChem | 4369359 |
SureChEMBL | SCHEMBL17783 |
ZINC | ZINC000001489478 |