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Ligand

NameCHEMBL3970041
Molecular formulaC20H24ClN5O4
IUPAC namemethyl (1S,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopropylmethylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate
Molecular weight433.893
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50199455
Inchi KeyKNEHKBCZXUWEDN-QKZATRHHSA-N
Inchi IDInChI=1S/C20H24ClN5O4/c1-30-18(29)20-6-10(20)13(14(27)15(20)28)26-7-22-12-16(24-19(21)25-17(12)26)23-11(8-2-3-8)9-4-5-9/h7-11,13-15,27-28H,2-6H2,1H3,(H,23,24,25)/t10-,13-,14+,15+,20+/m1/s1
PubChem CID134154065
ChEMBLCHEMBL3970041
IUPHARN/A
BindingDB50199455
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
5500695-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5500575-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5500655-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5500605-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5500665-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5500595-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5500615-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5500645-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5500675-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5500585-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5500685-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
550063Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
550062Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
550070Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319

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