acompound

Showing entry for Homoharringtonine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042252
Compound Name	Homoharringtonine
Structure
Formula	C29H39NO9
InchiKey	HYFHYPWGAURHIV-UHFFFAOYSA-N
SMILES	COC(=O)CC(C(=O)OC1C(=CC23C1c1cc4OCOc4cc1CCN3CCC2)OC)(CCCC(O)(C)C)O
Inchi	InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3
IUPAC
Molecular Weight	545.26
Pubchem Id	3628
Chembl Id	CHEMBL175858

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

n.a

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

Binding DB

n.a

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

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	12589	nM
P42858	BXGT010341	Huntingtin	reviewed	-	HTT	Potency	'='	158	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	7	nM
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	89	nM
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	6	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	3162	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	3548	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	37	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01979	Cephalotaxus hainanensis	Cephalotaxus hainanensis	Others
BXGF02791	Cephalotaxus fortunei	Cephalotaxus fortunei	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}