CHEMBL3817958
POP IC50 1 nM
General
Type : Isoindole, Pyrrolidine, Cyanide
Chemical_Nomenclature : (2S)-1-[(3aS,4R,7aR)-2-benzyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isoindole-4-carbonyl]pyrrolidine-2-carbonitrile
Canonical SMILES : C1C[C@H](N(C1)C(=O)[C@@H]2CC=C[C@@H]3[C@@H]2C(=O)N(C3)CC4=CC=CC=C4)C#N
InChI : InChI=1S\/C21H23N3O2\/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15\/h1-4,6-8,16-19H,5,9-11,13-14H2\/t16-,17-,18+,19-\/m0\/s1
InChIKey : RSPHQZYIDJUMKI-OKYOBFRVSA-N
Other name(s) : BDBM50180679 || PD138616
MW : 349.4
Formula : C21H23N3O2
CAS_number :
PubChem : 127050022
UniChem : RSPHQZYIDJUMKI-OKYOBFRVSA-N
Target
Families : CHEMBL3817958 ligand of proteins in family
S9N_PPCE_Peptidase_S9
Protein :
human-PREP
References (2)
| Title : Modulating the selectivity of inhibitors for prolyl oligopeptidase inhibitors and fibroblast activation protein-alpha for different indications - Plescia_2022_Eur.J.Med.Chem_240_114543 |
| Author(s) : Plescia J , Hedou D , Pousse ME , Labarre A , Dufresne C , Mittermaier A , Moitessier N |
| Ref : Eur Journal of Medicinal Chemistry , 240 :114543 , 2022 |
| Abstract : |
| PubMedSearch : Plescia_2022_Eur.J.Med.Chem_240_114543 |
| PubMedID: 35797897 |
| Gene_locus related to this paper: human-FAP , human-PREP |
| Title : 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors - Mariaule_2016_J.Med.Chem_59_4221 |
| Author(s) : Mariaule G , De Cesco S , Airaghi F , Kurian J , Schiavini P , Rocheleau S , Huskic I , Auclair K , Mittermaier A , Moitessier N |
| Ref : Journal of Medicinal Chemistry , 59 :4221 , 2016 |
| Abstract : |
| PubMedSearch : Mariaule_2016_J.Med.Chem_59_4221 |
| PubMedID: 26619267 |
| Gene_locus related to this paper: human-PREP |