acompound

Showing entry for Tocladesine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029695
Compound Name	Tocladesine
Structure
Formula	C10H11ClN5O6P
InchiKey	CLLFEJLEDNXZNR-UUOKFMHZSA-N
SMILES	O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Cl)nc2c1ncnc2N
Inchi	InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
IUPAC	(4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Weight	363.01
Pubchem Id	100299
Chembl Id	CHEMBL2107085

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
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	IC50	'='	22000	nM
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	IC50	'='	22000	nM
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	IC50	'='	22000	nM
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	IC50	'='	22000	nM
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	IC50	'='	59000	nM
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	IC50	'='	59000	nM
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	IC50	'='	59000	nM
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	IC50	'='	59000	nM
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	Hydrolysis	'<'	0	-
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	Hydrolysis	'<'	0	-
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	Hydrolysis	'<'	0	-
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	Hydrolysis	'<'	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	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}