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Ligand

NameCHEMBL3976121
Molecular formulaC20H25ClN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopropylmethylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight432.909
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50199463
Inchi KeyPWANAKRSKQRVSS-QKZATRHHSA-N
Inchi IDInChI=1S/C20H25ClN6O3/c1-22-18(30)20-6-10(20)13(14(28)15(20)29)27-7-23-12-16(25-19(21)26-17(12)27)24-11(8-2-3-8)9-4-5-9/h7-11,13-15,28-29H,2-6H2,1H3,(H,22,30)(H,24,25,26)/t10-,13-,14+,15+,20+/m1/s1
PubChem CID134152052
ChEMBLCHEMBL3976121
IUPHARN/A
BindingDB50199463
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5512655-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5512685-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5512575-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5512635-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5512645-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5512565-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5512555-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5512605-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5512615-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5512675-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5512595-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
551258Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
551266Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
551262Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319

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