TENELIGLIPTIN

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Synonyms
Status
Molecule Category Free-form
ATC A10BH08
UNII 28ZHI4CF9C

Structure

InChI Key WGRQANOPCQRCME-PMACEKPBSA-N
Smiles Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1
InChI
InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N6OS
Molecular Weight 426.59
AlogP 1.57
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 56.64
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR Other Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 0.29-540 0.41-11.9 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.37-540 0.41-11.9 - -
Rattus norvegicus
- 0.29 - - 78.3-94.8

Target Conservation

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

Cross References

Resources Reference
ChEBI 136042
ChEMBL CHEMBL2147777
DrugBank DB11950
DrugCentral 4895
FDA SRS 28ZHI4CF9C
Guide to Pharmacology 9906
PDB M51
PubChem 11949652
SureChEMBL SCHEMBL161778
ZINC ZINC000036520254
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