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Ligand

NameCHEMBL603927
Molecular formulaC23H29N5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[(5-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]purin-9-yl]oxolane-3,4-diol
Molecular weight455.515
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50368206
Inchi KeyAMMWWJNVNONGRF-PWXBLFLHSA-N
Inchi IDInChI=1S/C23H29N5O5/c1-12(2)32-16-8-4-5-13-14(16)6-3-7-15(13)27-21-18-22(25-10-24-21)28(11-26-18)23-20(31)19(30)17(9-29)33-23/h4-5,8,10-12,15,17,19-20,23,29-31H,3,6-7,9H2,1-2H3,(H,24,25,27)/t15?,17-,19-,20-,23?/m1/s1
PubChem CID46874814
ChEMBLN/A
IUPHARN/A
BindingDB50368206
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9056Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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