TENELIGLIPTIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BH08
UNII: 28ZHI4CF9C

Structure
InChI Key WGRQANOPCQRCME-PMACEKPBSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor Other Other PubMed
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
- 0 0-12 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 3 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 760937-92-6
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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