ACF
General
Type : Pyrrolidine
Chemical_Nomenclature : 3-[[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-4-chlorobenzoic acid
Canonical SMILES : C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=CC(=C3)C(=O)O)Cl)CN
InChI : InChI=1S\/C18H24ClN3O4\/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20\/h3,5,8,12-13,15,21H,1-2,4,6-7,9-10,20H2,(H,24,25)
InChIKey : DUMYZIXJYDQLTO-UHFFFAOYSA-N
Other name(s) : 3-{[(2r,5s)-5-{[(2s)-2-(Aminomethyl)pyrrolidin-1- Yl]carbonyl}pyrrolidin-2-Yl]methoxy}-4-Chlorobenzoic acid,(C5-pro-pro) inhibitor 21ag
MW : 381.85
Formula : C18H24ClN3O4
CAS_number :
PubChem : 57484429
UniChem : DUMYZIXJYDQLTO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ACF ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2G5T crystal structure of human dipeptidyl peptidase IV (dppIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
Protein : human-DPP4
References (1)
| Title : Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors - Pei_2006_J.Med.Chem_49_3520 |
| Author(s) : Pei Z , Li X , Longenecker K , von Geldern TW , Wiedeman PE , Lubben TH , Zinker BA , Stewart K , Ballaron SJ , Stashko MA , Mika AK , Beno DW , Long M , Wells H , Kempf-Grote AJ , Madar DJ , McDermott TS , Bhagavatula L , Fickes MG , Pireh D , Solomon LR , Lake MR , Edalji R , Fry EH , Sham HL , Trevillyan JM |
| Ref : Journal of Medicinal Chemistry , 49 :3520 , 2006 |
| Abstract : Pei_2006_J.Med.Chem_49_3520 |
| ESTHER : Pei_2006_J.Med.Chem_49_3520 |
| PubMedSearch : Pei_2006_J.Med.Chem_49_3520 |
| PubMedID: 16759095 |
| Gene_locus related to this paper: human-DPP4 |