acompound

Showing entry for Coronaridine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042580
Compound Name	Coronaridine
Structure
Formula	C21H26N2O2
InchiKey	NVVDQMVGALBDGE-KSWFMABOSA-N
SMILES	CC[C@H]1C[C@@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2
Inchi	InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1
IUPAC
Molecular Weight	338.2
Pubchem Id	73489
Chembl Id	CHEMBL364613

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	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	-	-	16000
reviewed	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	-	170000	-	-
reviewed	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	16000	-	-
reviewed	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	3000	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	8600	-	-

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
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	EC50	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	8600	nM
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	Activity	-	-	-
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Activity	-	-	-
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'='	3000	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Activity	'='	75	%
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	IC50	'='	170000	nM
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	EC50	-	-	-
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	EC50	'='	16000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Activity	-	-	-
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	IC50	-	-	-
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	-	-	-
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'='	16000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04082	Tabernaemontana divaricata	Tabernaemontana divaricata	Medicinal Plant
BXGF05023	tabernaemontana calcarea	tabernaemontana calcarea	Others

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}