AL137
compound 1 in Engdahl_2016_J.Med.Chem_59_9409 IC50 AgAChE1 0.26; AaAChE1 0.44; HumanAChE 0.030; MouseACHE 0.026; G122S-AgAChE1 1.2 microM
General
Type : Piperidine, Organochlorine
Chemical_Nomenclature : 2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
Canonical SMILES : C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI : InChI=1S\/C20H22Cl2N2O2\/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24\/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
InChIKey : KHNVQJDWUHRVDK-UHFFFAOYSA-N
Other name(s) : 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide || MLS000663765 || SMR000293060 || CHEMBL1459580
MW : 393.3
Formula : C20H22Cl2N2O2
CAS_number :
PubChem : 1395053
UniChem : KHNVQJDWUHRVDK-UHFFFAOYSA-N
Target
Families : AL137 ligand of proteins in family
ACHE
Protein :
anoga-ACHE1
human-ACHE
anoga-ACHE2
apime-ACHE
References (9)
| Title : The Molecular Properties of Honey Bee Acetylcholinesterase Reveal Opportunities to Avoid Off-Target Effects in Insecticide Discovery - Lindgren_2025_Chemistry__e202500664 |
| Author(s) : Lindgren C , Rajeshwari R , Engdahl CS , Kumari R , Ekstrom F , Linusson A |
| Ref : Chemistry , :e202500664 , 2025 |
| Abstract : |
| PubMedSearch : Lindgren_2025_Chemistry__e202500664 |
| PubMedID: 40501143 |
| Gene_locus related to this paper: anoga-ACHE1 , apime-ACHE |
| Title : The Molecular Properties of Honey Bee Acetylcholinesterase Reveal Opportunities to Avoid Off-Target Effects in Insecticide Discovery - Lindgren_2025_Chemistry__e202500664 |
| Author(s) : Lindgren C , Rajeshwari R , Engdahl CS , Kumari R , Ekstrom F , Linusson A |
| Ref : Chemistry , :e202500664 , 2025 |
| Abstract : |
| PubMedSearch : Lindgren_2025_Chemistry__e202500664 |
| PubMedID: 40501143 |
| Gene_locus related to this paper: anoga-ACHE1 , apime-ACHE |
| Title : The Molecular Properties of Honey Bee Acetylcholinesterase Reveal Opportunities to Avoid Off-Target Effects in Insecticide Discovery - Lindgren_2025_Chemistry__e202500664 |
| Author(s) : Lindgren C , Rajeshwari R , Engdahl CS , Kumari R , Ekstrom F , Linusson A |
| Ref : Chemistry , :e202500664 , 2025 |
| Abstract : |
| PubMedSearch : Lindgren_2025_Chemistry__e202500664 |
| PubMedID: 40501143 |
| Gene_locus related to this paper: anoga-ACHE1 , apime-ACHE |
| Title : The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes - Berg_2016_Chemistry_22_2672 |
| Author(s) : Berg L , Mishra BK , Andersson CD , Ekstrom F , Linusson A |
| Ref : Chemistry , 22 :2672 , 2016 |
| Abstract : |
| PubMedSearch : Berg_2016_Chemistry_22_2672 |
| PubMedID: 26751405 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes - Engdahl_2016_J.Med.Chem_59_9409 |
| Author(s) : Engdahl CS , Knutsson S , Ekstrom F , Linusson A |
| Ref : Journal of Medicinal Chemistry , 59 :9409 , 2016 |
| Abstract : |
| PubMedSearch : Engdahl_2016_J.Med.Chem_59_9409 |
| PubMedID: 27598521 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |
| Title : The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes - Berg_2016_Chemistry_22_2672 |
| Author(s) : Berg L , Mishra BK , Andersson CD , Ekstrom F , Linusson A |
| Ref : Chemistry , 22 :2672 , 2016 |
| Abstract : |
| PubMedSearch : Berg_2016_Chemistry_22_2672 |
| PubMedID: 26751405 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes - Engdahl_2016_J.Med.Chem_59_9409 |
| Author(s) : Engdahl CS , Knutsson S , Ekstrom F , Linusson A |
| Ref : Journal of Medicinal Chemistry , 59 :9409 , 2016 |
| Abstract : |
| PubMedSearch : Engdahl_2016_J.Med.Chem_59_9409 |
| PubMedID: 27598521 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |
| Title : Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes - Engdahl_2016_J.Med.Chem_59_9409 |
| Author(s) : Engdahl CS , Knutsson S , Ekstrom F , Linusson A |
| Ref : Journal of Medicinal Chemistry , 59 :9409 , 2016 |
| Abstract : |
| PubMedSearch : Engdahl_2016_J.Med.Chem_59_9409 |
| PubMedID: 27598521 |
| Gene_locus related to this paper: anoga-ACHE1 , mouse-ACHE |
| Title : The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes - Berg_2016_Chemistry_22_2672 |
| Author(s) : Berg L , Mishra BK , Andersson CD , Ekstrom F , Linusson A |
| Ref : Chemistry , 22 :2672 , 2016 |
| Abstract : |
| PubMedSearch : Berg_2016_Chemistry_22_2672 |
| PubMedID: 26751405 |
| Gene_locus related to this paper: mouse-ACHE |