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Ligand

Name2-Chloro-N6-cyclopentyladenosine
Molecular formulaC15H20ClN5O4
IUPAC name(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight369.806
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
Synonyms[3H]CCPA
(2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
4824AB
B6839
KB-23064
[ Show all ]
Inchi KeyXSMYYYQVWPZWIZ-IDTAVKCVSA-N
Inchi IDInChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
PubChem CID123807
ChEMBLCHEMBL284969
IUPHAR379, 374
BindingDB50085658
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
399813Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
399816Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
399818Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
399819Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
399820Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
399815Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
399817Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
399821Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
399814Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
399822Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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