GOSOGLIPTIN

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Synonyms
Status
Molecule Category Free-form
UNII GI718UO477
EPA CompTox DTXSID601007213

Structure

InChI Key QWEWGXUTRTXFRF-KBPBESRZSA-N
Smiles O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1
InChI
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24F2N6O
Molecular Weight 366.42
AlogP 0.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 64.6
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 11.3-12.9 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 14.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 11.3-12.9 - - 14.9
Rattus norvegicus
- 12.8 - - -

Target Conservation

Protein: Dipeptidyl peptidase IV
Description: Dipeptidyl peptidase 4
Organism : Homo sapiens
P27487 ENSG00000197635

Cross References

Resources Reference
CAS NUMBER 869490-23-3
ChEMBL CHEMBL515387
DrugBank DB08382
FDA SRS GI718UO477
Guide to Pharmacology 7413
PDB PF2
PubChem 11516136
SureChEMBL SCHEMBL197108
ZINC ZINC000023247686
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