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Ligand

NameCHEMBL434328
Molecular formulaC27H26Cl2N6O4
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-[(5-chloro-2-phenylmethoxyphenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight569.443
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.5
SynonymsCHEMBL2368369
BDBM50163006
1N-methyl-4-[6-(2-benzyloxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide
Inchi KeyDGZKRHKJMSCQBD-PFBLAMEFSA-N
Inchi IDInChI=1S/C27H26Cl2N6O4/c1-30-25(38)27-10-17(27)20(21(36)22(27)37)35-13-32-19-23(33-26(29)34-24(19)35)31-11-15-9-16(28)7-8-18(15)39-12-14-5-3-2-4-6-14/h2-9,13,17,20-22,36-37H,10-12H2,1H3,(H,30,38)(H,31,33,34)/t17-,20-,21+,22+,27-/m1/s1
PubChem CID73352883
ChEMBLCHEMBL2368369
IUPHARN/A
BindingDB50163006
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59761Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
59759Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
59760Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
59758Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
59762Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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