Synonyms: | |
Status: | Approved (2013) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A10BH04 |
UNII: | JHC049LO86 |
InChI Key | ZSBOMTDTBDDKMP-OAHLLOKOSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H21N5O2 |
Molecular Weight | 339.4 |
AlogP | 0.39 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 97.05 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 25.0 |
Primary Target | |
---|---|
dipeptidyl peptidase 4 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Serine protease
Serine protease SC clan
Serine protease S9B subfamily
|
- | 1-24 | 2-29 | - | 85-97 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 850649-61-5 |
ChEBI | 72323 |
ChEMBL | CHEMBL376359 |
DrugBank | DB06203 |
DrugCentral | 4340 |
EPA CompTox | DTXSID90234130 |
FDA SRS | JHC049LO86 |
Guide to Pharmacology | 6319 |
PDB | T22 |
PubChem | 11450633 |
SureChEMBL | SCHEMBL121028 |
ZINC | ZINC000014961096 |