Discorhabdin-G
Discorhabdin alkaloids from Antarctic Latrunculia spp. sponges. Activity in MicroM : eleelAChE IC50 1.3 +/- 0.2; Ki 1.6; hAChE IC50 116 +/- 9; Ki 56.2; BChE IC50 7.0 +/- 1.0; Ki 5.0
General
Chemical_Nomenclature : (3R)-2'-bromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,4'-cyclohex-2-ene]-1'-one
Canonical SMILES : C1C[C@@]2(C=CNC3=C2C4=NCCC5=C4C(=C3O)N=C5)C=C(C1=O)Br
InChI : InChI=1S\/C18H14BrN3O2\/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24\/h4,6-8,21,24H,1-3,5H2\/t18-\/m1\/s1
InChIKey : FTEGWSQYDPWHRM-GOSISDBHSA-N
Other name(s) : Discorhabdin G || CHEMBL4168617 || CHEMBL4301938 || BDBM50282228
MW : 384.2
Formula : C18H14BrN3O2
CAS_number :
PubChem : 135515105
UniChem : FTEGWSQYDPWHRM-GOSISDBHSA-N
Target
Families : Discorhabdin-G ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Discorhabdin alkaloids from Antarctic Latrunculia spp. sponges as a new class of cholinesterase inhibitors - Botic_2017_Eur.J.Med.Chem_136_294 |
| Author(s) : Botic T , Defant A , Zanini P , Zuzek MC , Frangez R , Janussen D , Kersken D , Knez Z , Mancini I , Sepcic K |
| Ref : Eur Journal of Medicinal Chemistry , 136 :294 , 2017 |
| Abstract : |
| PubMedSearch : Botic_2017_Eur.J.Med.Chem_136_294 |
| PubMedID: 28505534 |