SCHEMBL24050193
inhibition of BuChE (IC50 = 0.21 microM) and GABA transporter 1 (IC50 = 10.96 microM) and 3 (IC50 = 7.76 microM)
General
Type : Fluoren, Cyclopropyl, Multitarget, BACE1-inhibitor, anti-Abeta-aggregation, GABA-transporter-inhibitor
Chemical_Nomenclature : (2S,3S)-1-(cyclopropylmethylamino)-3-(9H-fluoren-9-ylamino)-4-phenylbutan-2-ol
Canonical SMILES : C1CC1CNC[C@@H]([C@H](CC2=CC=CC=C2)NC3C4=CC=CC=C4C5=CC=CC=C35)O || C1CC1CNC[C@H]([C@H](CC2=CC=CC=C2)NC3C4=CC=CC=C4C5=CC=CC=C35)O
InChI : InChI=1S\/C27H30N2O\/c30-26(18-28-17-20-14-15-20)25(16-19-8-2-1-3-9-19)29-27-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27\/h1-13,20,25-30H,14-18H2\/t25-,26+\/m0\/s1
InChIKey : UUSOVXKDONMOKG-IZZNHLLZSA-N
Other name(s) : (2R,3S)-3-((9H-fluoren-9-yl)amino)-1-((cyclopropylmethyl)amino)-4-phenylbutan-2-ol || A1H77 || SCHEMBL24050818
MW : 398.5
Formula : C27H30N2O
CAS_number :
PubChem : 166858282
UniChem : UUSOVXKDONMOKG-IZZNHLLZSA-N
Target
References (1)
| Title : Multifunctional, fluorene-based modulator of cholinergic and GABAergic neurotransmission as a novel drug candidate for palliative treatment of Alzheimer's disease - Panek_2024_Angew.Chem.Int.Ed.Engl__e202420510 |
| Author(s) : Panek D , Pasieka A , Jonczyk JJ , Gawlinska M , Zareba P , Siwek A , Wolak M , Mordyl B , Gluch-Lutwin M , Latacz G , Brazzolotto X , Chantegreil F , Nachon F , Zdarova Karasova J , Pejchal J , Mzik M , Sestak V , Prchal L , Odvarkova J , Soukup O , Korabecny J , Sorf A , Hamsikova M , Zemanova L , Muckova L , Vanova N , Dryja P , Salat K , Hofner G , Wanner K , Wieckowska A , Malawska B |
| Ref : Angew Chem Int Ed Engl , :e202420510 , 2024 |
| Abstract : |
| PubMedSearch : Panek_2024_Angew.Chem.Int.Ed.Engl__e202420510 |
| PubMedID: 39523866 |
| Gene_locus related to this paper: human-BCHE |