Fenoverine has been used in trials studying the treatment of Irritable Bowel Syndrome. Inactive on ACHE; IC50 0.09 +/- 0.01 microM BCHE. fenoverine does not act as a muscarinic or opiate-receptor antagonist, but modulates of the cellular calcium flow
Type : Not A\/B H target,Drug,Phenothiazine,Sulfur Compound,Piperazine,Benzodioxo
Chemical_Nomenclature : 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone
Canonical SMILES : C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64
InChI : InChI=1S\/C26H25N3O3S\/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22\/h1-10,15H,11-14,16-18H2
InChIKey : UBAJTZKNDCEGKL-UHFFFAOYSA-N
Other name(s) : Spasmopriv,UNII-N274ZQ6PZJ,N274ZQ6PZJ,SCHEMBL25003,CHEMBL1512949,CHEBI:135744,ZINC19899628,DB13042
MW : 459.6
Formula : C26H25N3O3S
CAS_number : 37561-27-6
PubChem : 72098
UniChem : UBAJTZKNDCEGKL-UHFFFAOYSA-N
Families : Fenoverine ligand of proteins in family
BCHE
Title : Identification of Compounds for Butyrylcholinesterase Inhibition - Li_2021_SLAS.Discov__24725552211030897 |
Author(s) : Li S , Li AJ , Travers J , Xu T , Sakamuru S , Klumpp-Thomas C , Huang R , Xia M |
Ref : SLAS Discov , :24725552211030897 , 2021 |
Abstract : Li_2021_SLAS.Discov__24725552211030897 |
ESTHER : Li_2021_SLAS.Discov__24725552211030897 |
PubMedSearch : Li_2021_SLAS.Discov__24725552211030897 |
PubMedID: 34269114 |
Array ( [id] => 1812 [inhibitor] => Fenoverine [type] => Array ( [0] => Not A\/B H target [1] => Drug [2] => Phenothiazine [3] => Sulfur Compound [4] => Piperazine [5] => Benzodioxo ) [other_name] => Array ( [0] => Spasmopriv [1] => UNII-N274ZQ6PZJ [2] => N274ZQ6PZJ [3] => SCHEMBL25003 [4] => CHEMBL1512949 [5] => CHEBI:135744 [6] => ZINC19899628 [7] => DB13042 ) [chemical_nomenclature] => 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone [formula] => C26H25N3O3S [cas_number] => 37561-27-6 [mw] => 459.6 [pick_me_to_call] => display_script [kinetic_parameter] => [paper] => Li_2021_SLAS.Discov__24725552211030897 [comment] => Fenoverine has been used in trials studying the treatment of Irritable Bowel Syndrome. Inactive on ACHE\; IC50 0.09 +\/- 0.01 microM BCHE. fenoverine does not act as a muscarinic or opiate-receptor antagonist, but modulates of the cellular calcium flow [gene_locus] => [kin_inhibitor] => [cid] => 72098 [family] => BCHE [inchikey] => UBAJTZKNDCEGKL-UHFFFAOYSA-N [canonicalsmiles] => C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 [inchi] => InChI=1S\/C26H25N3O3S\/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22\/h1-10,15H,11-14,16-18H2 [wikipedia] => [iupharlig] => [structure] => [substrate] => [interact_gene_locus] => [mutation] => [comment2] => [extoxnet] => [news] => [theoretical_model] => )