acompound

Showing entry for Cinchonine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019230
Compound Name	Cinchonine
Structure
Formula	C19H22N2O
InchiKey	KMPWYEUPVWOPIM-QAMTZSDWSA-N
SMILES	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cccc2)O
Inchi	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
IUPAC	(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
Molecular Weight	294.17
Pubchem Id	90454
Chembl Id	CHEMBL588619

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	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	5400	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	3500	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	2600	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	9300	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	1000	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	7500	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	21000	-	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	1800	-	-

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	122	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	105	%
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	1800	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Ki	'='	21000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	5	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	130	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	12995	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	9	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	32642	nM
O97467	BXGT005437	Hexose transporter 1	unreviewed	-	ht1	Inhibition	'='	1	%
O61059	BXGT004913	Glucose transporter	unreviewed	-	LmGT2	Inhibition	'='	0	%
P11166	BXGT007661	Solute carrier family 2, facilitated glucose transporter member 1	reviewed	Transporter	SLC2A1	Inhibition	'='	-1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03950	Cinchona calisaya	Cinchona calisaya	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}