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Ligand

NameCHEMBL54505
Molecular formulaC24H30N6O3
IUPAC nameN-[(2R,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-methyloxolan-3-yl]-3,4-dimethylbenzamide
Molecular weight450.543
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50112199
N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-methyl-tetrahydro-furan-3-yl]-3,4-dimethyl-benzamide
Inchi KeyANEWOVOUCFPRTN-XGFUBRKBSA-N
Inchi IDInChI=1S/C24H30N6O3/c1-13-8-9-16(10-14(13)2)23(32)29-18-15(3)33-24(20(18)31)30-12-27-19-21(25-11-26-22(19)30)28-17-6-4-5-7-17/h8-12,15,17-18,20,24,31H,4-7H2,1-3H3,(H,29,32)(H,25,26,28)/t15-,18+,20-,24-/m1/s1
PubChem CID11080871
ChEMBLCHEMBL54505
IUPHARN/A
BindingDB50112199
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
9503Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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