acompound

Showing entry for cryptopine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040721
Compound Name	cryptopine
Structure
Formula	C21H23NO5
InchiKey	XPOJSWHIKCNLEQ-UHFFFAOYSA-N
SMILES	COc1cc2C(=O)Cc3ccc4c(c3CN(CCc2cc1OC)C)OCO4
Inchi	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
IUPAC
Molecular Weight	369.16
Pubchem Id	72616
Chembl Id	CHEMBL1339015

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	25	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	141253	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	10000	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF00883	Chrozophora prostrata	Chrozophora prostrata	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF03381	Hylomecon japonica	Hylomecon japonica	Medicinal Plant
BXGF03870	Aloe microstigma	Aloe microstigma	Others
BXGF04632	Corydalis pallida	Corydalis pallida	Medicinal Plant
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF04921	Dicentra spectabilis	Dicentra spectabilis	Medicinal Plant
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF04977	Papaver sommiferum	Papaver sommiferum	Medicinal Plant
BXGF05103	Argemone mexicana	Argemone mexicana	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}