acompound

Showing entry for 7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042128
Compound Name	7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium
Structure
Formula	C28H24N4O2
InchiKey	PLMZBLUKRYWASH-UHFFFAOYSA-O
SMILES	COc1cnc(c2c1c1ccccc1[nH]2)C1CCCc2[n+]1cc(OC)c1c2[nH]c2c1cccc2
Inchi	InChI=1S/C28H24N4O2/c1-33-22-14-29-27(28-24(22)16-8-3-6-11-19(16)31-28)21-13-7-12-20-26-25(23(34-2)15-32(20)21)17-9-4-5-10-18(17)30-26/h3-6,8-11,14-15,21H,7,12-13H2,1-2H3,(H,29,31)/p+1
IUPAC
Molecular Weight	449.2
Pubchem Id	5318871
Chembl Id	CHEMBL3401861

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
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	50	%
P29597	BXGT009367	Non-receptor tyrosine-protein kinase TYK2	reviewed	Kinase	TYK2	Inhibition	-	-	-
O60674	BXGT004892	Tyrosine-protein kinase JAK2	reviewed	Kinase	JAK2	Inhibition	-	-	-
P23458	BXGT008868	Tyrosine-protein kinase JAK1	reviewed	Kinase	JAK1	Inhibition	-	-	-
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	Inhibition	-	-	-
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06009	Picrasma quassioides	Picrasma quassioides	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}