AL237
Compound 3 of Knutsson et al. Specific inhibition of mosquitoe AChEIC50 (microM) AgAChE1 7.1 (6.5-7.6); AaAChE1 6.0 (5.6-6.5); hAChE 120 (100-130)
General
Type : Urea derivative, Sulfur Compound
Chemical_Nomenclature : 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea
Canonical SMILES : CN(C)CCNC(=S)NC1=CC=CC=C1OC
InChI : InChI=1S\/C12H19N3OS\/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3\/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
InChIKey : WGGARZSAXKSVFS-UHFFFAOYSA-N
Other name(s) : CHEMBL4064806 || Oprea1_224261 || ZINC4561846 || BDBM50252256
MW : 253.37
Formula : C12H19N3OS
CAS_number :
PubChem : 895655
UniChem : WGGARZSAXKSVFS-UHFFFAOYSA-N
Target
Families : AL237 ligand of proteins in family
ACHE
Structure :
8ORC
Protein :
anoga-ACHE1
aedae-ACHE1
mouse-ACHE
References (2)
| Title : Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes - Kumari_2024_ACS.Infect.Dis__ |
| Author(s) : Kumari R , Lindgren C , Kumar R , Forsgren N , Andersson CD , Ekstrom F , Linusson A |
| Ref : ACS Infect Dis , : , 2024 |
| Abstract : |
| PubMedSearch : Kumari_2024_ACS.Infect.Dis__ |
| PubMedID: 39291389 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |
| Title : N-Aryl-N'-ethyleneaminothioureas effectively inhibit acetylcholinesterase 1 from disease-transmitting mosquitoes - Knutsson_2017_Eur.J.Med.Chem_134_415 |
| Author(s) : Knutsson S , Kindahl T , Engdahl C , Nikjoo D , Forsgren N , Kitur S , Ekstrom F , Kamau L , Linusson A |
| Ref : Eur Journal of Medicinal Chemistry , 134 :415 , 2017 |
| Abstract : |
| PubMedSearch : Knutsson_2017_Eur.J.Med.Chem_134_415 |
| PubMedID: 28433681 |
| Gene_locus related to this paper: anoga-ACHE1 |