acompound

Showing entry for Fangchinoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028778
Compound Name	Fangchinoline
Structure
Formula	C37H40N2O6
InchiKey	IIQSJHUEZBTSAT-VMPREFPWSA-N
SMILES	COc1cc2CCN([C@@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C
Inchi	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
IUPAC
Molecular Weight	608.29
Pubchem Id	73481
Chembl Id	CHEMBL504256

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

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	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	129000	-	-

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
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	2	fold
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	129000	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	12589	nM
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	Potency	-	11582	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	8199	nM
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	Potency	-	11220	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	12589	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	7943	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	290	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	7079	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
Q8IUX4	BXGT018337	DNA dC->dU-editing enzyme APOBEC-3F	reviewed	Enzyme	APOBEC3F	Potency	-	31622	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	50118	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	16360	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	19952	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF01236	Anaxagorea luzonensis	Anaxagorea luzonensis	Medicinal Plant
BXGF01326	Argyreia nervosa	Argyreia nervosa	Medicinal Plant
BXGF01377	Erythrina chiriquensis	Erythrina chiriquensis	Others
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01549	Sinomenium acutum	Sinomenium acutum	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02022	Croton regelianus	Croton regelianus	Others
BXGF03456	Phelipanche arenaria	Phelipanche arenaria	Others
BXGF03900	Pachygone dasycarpa	Pachygone dasycarpa	Others
BXGF03974	Stephania epigaea	Stephania epigaea	Others
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	Medicinal Plant
BXGF04560	Lathyrus aphaca	Lathyrus aphaca	Medicinal Plant
BXGF05007	Melianthus major	Melianthus major	Medicinal Plant
BXGF05533	Acronychia muelleri	Acronychia muelleri	Others
BXGF05860	Phoradendron reichenbachianum	Phoradendron reichenbachianum	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}