Compound Detail

CHEMBL3215298

ABAMECTIN

🧪 Phase III

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🧪 Phase III

CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3215298
Name	ABAMECTIN
Phase	Phase III
Structure Type	MOL
InChI Key	IBSREHMXUMOFBB-JFUDTMANSA-N

Known Names

Abamectin Abamectina Abamectine Agri-mek Avermectin b1 Avid Avomec Bovitin Doratect Duomectin Duotin Endecto +9 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

1732.2

MW (Da)

Drug Information

Molecule Type	Unknown
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem	-ectin
USAN Year	1988

Extended Properties

Molecular Formula	C95H142O28
MW	1732.15

Indications

Malaria

Activity Summary

IC50 3 meas. best 6.88

Ki 3 meas. best 7.12

EC50 2 meas. best 5.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glycine receptor CHEMBL3392921	Ki	7.12	7.12	75.0	1
Glycine receptor CHEMBL3392921	IC50	6.88	6.88	132.0	1
Adenosine receptor A3 CHEMBL256	Ki	6.31	6.31	492.0	1
Adenosine receptor A3 CHEMBL256	IC50	6.06	6.06	870.0	1
D(1A) dopamine receptor CHEMBL2056	Ki	5.51	5.51	3060.0	1
Trypanosoma cruzi CHEMBL368	EC50	5.4	5.4	4000.0	1
D(1A) dopamine receptor CHEMBL2056	IC50	5.21	5.21	6119.0	1
ADMET CHEMBL612558	EC50	4.92	4.92	12000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glycine receptor	Ki	=	75.0	nM	7.12	DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Stry...	-
Glycine receptor	IC50	=	132.0	nM	6.88	DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Stry...	-
Adenosine receptor A3	Ki	=	492.0	nM	6.31	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
Adenosine receptor A3	IC50	=	870.0	nM	6.06	DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)	-
D(1A) dopamine receptor	Ki	=	3060.0	nM	5.51	DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)	-
Trypanosoma cruzi	EC50	=	4000.0	nM	5.4	Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BESM...	20547819
D(1A) dopamine receptor	IC50	=	6119.0	nM	5.21	DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)	-
ADMET	EC50	=	12000.0	nM	4.92	Cytotoxicity against BESM cells after 88 hrs by HTS assay	20547819

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	405
22395950	10.1002/ps.2338	Meloidogyne incognita	49
20309850	10.1002/ps.1943	Bombus terrestris	14
19937976	10.1002/ps.1876	Cacopsylla melanoneura	12
-	10.1584/jpestics.D11-055	Clonostachys rosea	6
21800409	10.1002/ps.2242	Drosophila suzukii	5
20151406	10.1002/ps.1920	Bursaphelenchus xylophilus	5
21162148	10.1002/ps.2037	Bemisia tabaci	5
21432985	10.1002/ps.2145	Tetranychus evansi	4
21858910	10.1002/ps.2258	Plutella xylostella	3
19170251	10.1002/ps.1698	Tetranychus urticae	3
19937914	10.1002/ps.1877	Bemisia tabaci	3
19562662	10.1002/ps.1808	Bemisia tabaci	3
-	10.1016/j.cropro.2010.11.012	Tetranychus urticae	3
-	10.1016/j.cropro.2011.12.007	Trichogramma nubilale	3
20309850	10.1002/ps.1943	Apis mellifera	2
20309850	10.1002/ps.1943	Aphidius colemani	1
-	10.1016/j.cropro.2007.08.004	ADMET	1
20547819	10.1128/aac.01777-09	Unchecked	1
20547819	10.1128/aac.01777-09	Trypanosoma cruzi	1

Data from ChEMBL 36 via Core Engine