acompound

Showing entry for Ivermectin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023873
Compound Name	Ivermectin
Structure
Formula	C48H74O14
InchiKey	AZSNMRSAGSSBNP-XPNPUAGNSA-N
SMILES	CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)CC[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C
Inchi	InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,
IUPAC
Molecular Weight	874.51
Pubchem Id	6321424
Chembl Id	CHEMBL263291

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
O93430	BXGT005305	Glycine receptor subunit alphaZ1	reviewed	glra1	-	-	-	-	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	NR1H4	Nuclear receptor	-	-	-	-
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	GLRA3	Ion channel	-	-	-	-

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006471	Sodium/potassium-transporting ATPase subunit alpha-1	reviewed		Atp1a1	-	8230	-	-
reviewed	BXGT026176	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	reviewed		Atp2a2	-	6720	-	-
reviewed	BXGT026177	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	reviewed		Atp2a1	-	16900	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	>30000	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	>30000	-	-
reviewed	BXGT009707	Cytochrome P450 2C19	reviewed		CYP2C19	-	>30000	-	-
reviewed	BXGT007738	Cytochrome P450 2C9	reviewed		CYP2C9	-	>30000	-	-
reviewed	BXGT007592	Cytochrome P450 2C8	reviewed		CYP2C8	-	>30000	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	200	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	100	-	-
reviewed	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	-	3800	-	-
reviewed	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	500	-	-	-
reviewed	BXGT019389	Canalicular multispecific organic anion transporter 1	reviewed	Transporter	ABCC2	-	18000	-	-
reviewed	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	-	9000	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	8414	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	10593	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01073	Veronicastrum sibiricum	Veronicastrum sibiricum	Medicinal Plant
BXGF02133	Veratrum nigrum	Veratrum nigrum	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}