Drug Details

Name:

Cgs 21680

PubChem ID:

2691

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)

SMILES:

CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N

Properties:

Formula:	C23H29N7O6	Atoms:	36
Molecular Weight:	499.52	Rotatable Bonds:	11
H-bond Acceptors:	13	H-bond Donors:	6
logP:	0.8807

Targets:

Name	Uniprot ID	Source	References	Interaction
Adenosine A3 receptor	AA3R_HUMAN	BindingDB	-	shows
Adenosine A3 receptor	AA3R_RAT	BindingDB	-	shows
Adenosine receptor A1	AA1R_HUMAN	BindingDB	-	shows
Adenosine receptor A2a	AA2AR_HUMAN	BindingDB	-	shows
Adenosine receptor A2b	AA2BR_HUMAN	BindingDB	-	shows

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Synonyms:

3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-y

AC1L1E8W

BRD-A81866333-003-01-5

Cgs 21680

CID2691

L000177

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