acompound

Showing entry for huperzine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045683
Compound Name	huperzine A
Structure
Formula	C15H18N2O
InchiKey	ZRJBHWIHUMBLCN-YQEJDHNASA-N
SMILES	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c(C2)nc(cc1)O)C
Inchi	InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
IUPAC
Molecular Weight	242.14
Pubchem Id	854026
Chembl Id	CHEMBL395280

Targets of Information Source

DrugBank

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	approved; experimental	inhibitor

PDB

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
P04058	BXGT006139	Acetylcholinesterase	reviewed	ache	-	4300	-	-	-
P04058	BXGT006139	Acetylcholinesterase	reviewed	ache	-	250	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	ACHE	Enzyme	-	-	-	-

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	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	72.4	-	-
reviewed	BXGT008908	Acetylcholinesterase	reviewed		ACHE	-	74	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	600	-	-
reviewed	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	82	-	-
reviewed	BXGT006139	Acetylcholinesterase	reviewed		ache	-	11.4	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	21	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	1700	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	>100000	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	>10000	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	260	-	-
reviewed	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	53	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	47	-	-
reviewed	BXGT008908	Acetylcholinesterase	reviewed		ACHE	-	53	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	120	-	-
reviewed	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	65	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	45	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	600	nM
Q9JKC1	BXGT020830	Carboxylic ester hydrolase	unreviewed	-	Bche	IC50	'='	36400	nM
P24752	BXGT008993	Acetyl-CoA acetyltransferase, mitochondrial	reviewed	Enzyme	ACAT1	Inhibition	-	-	-
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	98	nM
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	120	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	EC50	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	400	nM
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	82	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04582	Huperzia selago	Huperzia selago	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}