Compound Detail

CHEMBL265941

ACETAMIPRID

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C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL265941
Name	ACETAMIPRID
Phase	Preclinical
Structure Type	MOL
InChI Key	WCXDHFDTOYPNIE-RIYZIHGNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

222.7

MW (Da)

2.07

ALogP

HBA

HBD

52.3

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 6 meas. best 8.08

Ki 6 meas. best 8.14

EC50 1 meas. best 6.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acetylcholine receptor subunit beta-like 2 CHEMBL2366470	Ki	8.14	8.14	7.2	1
Acetylcholine receptor subunit beta-like 2 CHEMBL2366470	IC50	8.08	8.08	8.3	1
Unchecked CHEMBL612545	IC50	8.0	6.0333	10.0	3
Unchecked CHEMBL612545	Ki	7.72	7.555	19.0	2
Soluble acetylcholine receptor CHEMBL1944497	Ki	7.5	7.5	32.0	1
Musca domestica CHEMBL613469	EC50	6.37	6.37	426.6	1
Neuronal acetylcholine receptor subunit alpha-4 CHEMBL5569	Ki	6.17	6.17	680.0	1
Acetylcholine-binding protein CHEMBL6084	Ki	5.92	5.92	1200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acetylcholine receptor subunit beta-like 2	Ki	=	7.2	nM	8.14	Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed a...	21341671
Acetylcholine receptor subunit beta-like 2	IC50	=	8.3	nM	8.08	Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela...	10936213
Unchecked	IC50	=	10.0	nM	8.0	Displacement of [3H]IMI from nicotinic acetylcholine receptor in Myzus persicae ...	10936213
Unchecked	Ki	=	19.0	nM	7.72	Displacement of [3H]EPI from Aplysia AChBP expressed in HEK293S cells by scintil...	17485662
Soluble acetylcholine receptor	Ki	=	32.0	nM	7.5	Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant ass...	21341671
Unchecked	Ki	=	41.0	nM	7.39	Displacement of [3H]ACE from Aplysia AChBP expressed in HEK293S cells by scintil...	17485662
Musca domestica	EC50	=	426.58	nM	6.37	Insecticidal activity against Musca domestica (house fly) dosed through injectio...	-
Neuronal acetylcholine receptor subunit alpha-4	Ki	=	680.0	nM	6.17	Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic ac...	21341671
Acetylcholine-binding protein	Ki	=	1200.0	nM	5.92	Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI...	21341671
Unchecked	IC50	=	8830.0	nM	5.05	Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head	-
Unchecked	IC50	=	8830.0	nM	5.05	Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head homog...	-

PubMed	DOI	Target Context	# Activities
-	10.1016/j.cropro.2007.01.006	Contarinia nasturtii	21
20632380	10.1002/ps.1989	Bemisia tabaci	15
19206104	10.1002/ps.1721	Galendromus occidentalis	14
19908228	10.1002/ps.1874	Aphis gossypii	13
21714058	10.1002/ps.2207	Aphis gossypii	10
-	10.1584/jpestics.D11-013	Apolygus lucorum	9
21162148	10.1002/ps.2037	Bemisia tabaci	7
21800409	10.1002/ps.2242	Drosophila suzukii	5
-	10.1584/jpestics.20.49	Acetylcholine receptor subunit alpha	5
22847768	10.1002/ps.3372	Frankliniella occidentalis	5
-	10.1016/j.cropro.2012.03.024	Bemisia tabaci	5
19562662	10.1002/ps.1808	Bemisia tabaci	5
19937914	10.1002/ps.1877	Bemisia tabaci	3
21728333	10.1021/jf201927t	Bemisia tabaci	3
-	10.1016/j.cropro.2011.12.007	Trichogramma nubilale	3
-	10.1584/jpestics.28.8	Periplaneta americana	3
21105655	10.1021/jf102765x	ADMET	2
23112103	10.1002/ps.3413	Myzus persicae	2
22262512	10.1002/ps.3246	Cydia pomonella	2
21476569	10.1021/jf200485k	Unchecked	2

Data from ChEMBL 36 via Core Engine