Drug Details

Name:

CHEBI:727607

PubChem ID:

46888222

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C22H30N6O5/c1-21(2)12-6-5-11(7-13(12)22(3,4)28(21)32)26-18-15-19(24-9-23-18)27(10-25-15)20-17(31)16(30)14(8-29)33-20/h5-7,9-10,14,16-18,20,26,29-32H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1NC=NC2Nc1ccc2c(c1)C(C)(C)N(C2(C)C)O

Properties:

Formula:	C22H30N6O5	Atoms:	33
Molecular Weight:	458.511	Rotatable Bonds:	4
H-bond Acceptors:	11	H-bond Donors:	6
logP:	0.8186

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

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Synonyms:

CHEBI:727607

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