Drug Details

Name:

CHEMBL139182

PubChem ID:

10505816

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36)

SMILES:

COc1ccc(cc1)NC(=O)Nc1nc2nn(cc2c2n1nc(n2)c1ccco1)CCCc1ccccc1

Properties:

Formula:	C27H24N8O3	Atoms:	38
Molecular Weight:	508.531	Rotatable Bonds:	10
H-bond Acceptors:	11	H-bond Donors:	2
logP:	5.1654

Targets:

Name	Uniprot ID	Source	References	Interaction
Adenosine A3 receptor	AA3R_HUMAN	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:

CHEBI:331250

CHEMBL139182

CID 10505816

CID10505816

L022511

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