acompound

Showing entry for 2-(6-Cyclopentylamino-Purin-9-Yl)-5-Methylsulfanylmethyl-Tetrahydro-Furan-3,4-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025572
Compound Name	2-(6-Cyclopentylamino-Purin-9-Yl)-5-Methylsulfanylmethyl-Tetrahydro-Furan-3,4-Diol
Structure
Formula	C16H23N5O3S
InchiKey	IRSFOARXPSIPGE-XNIJJKJLSA-N
SMILES	CSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1
Inchi	InChI=1S/C16H23N5O3S/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
IUPAC	(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
Molecular Weight	365.15
Pubchem Id	10248282
Chembl Id	CHEMBL2113468

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	BXGT009016	Adenosine receptor A1	reviewed		Adora1	243	-	-	-
reviewed	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	1180	-	-	-
reviewed	BXGT009016	Adenosine receptor A1	reviewed		Adora1	59	-	-	-
reviewed	BXGT009016	Adenosine receptor A1	reviewed		Adora1	-	-	-	99
reviewed	BXGT009016	Adenosine receptor A1	reviewed		Adora1	199	-	-	-
reviewed	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	13500	-	-	-

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
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	199	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Ki	'='	13500	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Ki	'='	13540	nM
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Ratio	'='	0	-
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ratio	'='	0	-
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	EC50	'='	99	nM
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Activity	'='	40	%
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	59	nM
P0DMS8	BXGT007506	Adenosine receptor A3	reviewed	G-protein coupled receptor	ADORA3	Ki	'='	74	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06107	Glehnia littoralis	Glehnia littoralis	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}