WXR
Brazzolotto, X.,Meden, A.,Knez, D.,Gobec, S.,Nachon, F. || human BCHE Ki [nM] 46.1 +/- 5.0
General
Type : Cycloheptyl, Indole
Chemical_Nomenclature : N-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1H-indol-7-yl]-N-methyl-methanamide || [3-[[2-cycloheptylethyl(methyl)amino]methyl]-1H-indol-7-yl]-methylcarbamic acid
Canonical SMILES : CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3N(C)C=O || CN(CCC1CCCCCC1)CC2=CNC3=C2C=CC=C3N(C)C(=O)O
InChI : InChI=1S\/C21H31N3O\/c1-23(13-12-17-8-5-3-4-6-9-17)15-18-14-22-21-19(18)10-7-11-20(21)24(2)16-25\/h7,10-11,14,16-17,22H,3-6,8-9,12-13,15H2,1-2H3 || InChI=1S\/C21H31N3O2\/c1-23(13-12-16-8-5-3-4-6-9-16)15-17-14-22-20-18(17)10-7-11-19(20)24(2)21(25)26\/h7,10-11,14,16,22H,3-6,8-9,12-13,15H2,1-2H3,(H,25,26)
InChIKey : QISLTHXRTOUKIF-UHFFFAOYSA-N || UYDMLCJSHLCPCA-UHFFFAOYSA-N
Other name(s) : Compound 28
MW : 341.49 || 357.5
Formula : C21H31N3O || C21H31N3O2
CAS_number :
PubChem : 172055170
UniChem : QISLTHXRTOUKIF-UHFFFAOYSA-N, UYDMLCJSHLCPCA-UHFFFAOYSA-N
Target
References (3)
| Title : Tunable nucleofugality in carbamoyl-bearing covalent cholinesterase inhibitors - Meden_2025_bioRxiv__ |
| Author(s) : Meden A , Knez D , Chen X , Li L , Brazzolotto X , Zorman M , Pislar A , Perdih A , Modeste F , Dalle C , Denic M , Chantegreil F , Dias J , Ilas J , Kosmrlj J , Stojan J , Nachon F , Zhan C-G , Gobec S |
| Ref : bioRxiv , : , 2025 |
| Abstract : |
| PubMedSearch : Meden_2025_bioRxiv__ |
| PubMedID: |
| Gene_locus related to this paper: human-BCHE |
| Title : Tunable nucleofugality in carbamoyl-bearing covalent cholinesterase inhibitors - Meden_2025_bioRxiv__ |
| Author(s) : Meden A , Knez D , Chen X , Li L , Brazzolotto X , Zorman M , Pislar A , Perdih A , Modeste F , Dalle C , Denic M , Chantegreil F , Dias J , Ilas J , Kosmrlj J , Stojan J , Nachon F , Zhan C-G , Gobec S |
| Ref : bioRxiv , : , 2025 |
| Abstract : |
| PubMedSearch : Meden_2025_bioRxiv__ |
| PubMedID: |
| Gene_locus related to this paper: human-BCHE |
| Title : Tunable nucleofugality in carbamoyl-bearing covalent cholinesterase inhibitors - Meden_2025_bioRxiv__ |
| Author(s) : Meden A , Knez D , Chen X , Li L , Brazzolotto X , Zorman M , Pislar A , Perdih A , Modeste F , Dalle C , Denic M , Chantegreil F , Dias J , Ilas J , Kosmrlj J , Stojan J , Nachon F , Zhan C-G , Gobec S |
| Ref : bioRxiv , : , 2025 |
| Abstract : |
| PubMedSearch : Meden_2025_bioRxiv__ |
| PubMedID: |
| Gene_locus related to this paper: human-BCHE |