teneligliptin   Click here for help

GtoPdb Ligand ID: 9906

Synonyms: compound 8g [PMID: 22959556] | MP-513 | MP513 | Teneli
Approved drug PDB Ligand Immunopharmacology Ligand
teneligliptin is an approved drug (Japan (2012), S Korea (2014))
Compound class: Synthetic organic
Comment: Teneligliptin is a long-acting, orally bioavailable dipeptidyl peptidase 4 (DPP-4) inhibitor [3]. It was developed for clinical potential in type 2 diabetes management, to improve glycemic control. In addition to their anti-diabetic activity, DPP4 inhibitors may have renal and cardiovascular protective effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 81.42
Molecular weight 426.22
XLogP 2.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CSCC1)C1NCC(C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C
Isomeric SMILES O=C(N1CSCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C
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
InChI Key WGRQANOPCQRCME-PMACEKPBSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2012), S Korea (2014))
IUPAC Name Click here for help
[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
International Nonproprietary Names Click here for help
INN number INN
8994 teneligliptin
Synonyms Click here for help
compound 8g [PMID: 22959556] | MP-513 | MP513 | Teneli
Database Links Click here for help
BindingDB Ligand 50391565
CAS Registry No. 760937-92-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL2147777
DrugBank Ligand DB11950
DrugCentral Ligand 4895
GtoPdb PubChem SID 363894200
PubChem CID 11949652
RCSB PDB Ligand M51
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SynPHARM 85060 (in complex with dipeptidyl peptidase 4)