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Ligand

NameNECA
Molecular formulaC12H16N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight308.298
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.7
Synonyms5'-N-Ethylcarboxamidoadenosine
35920-39-9
Adenosine-5'-(N-ethylcarboxamide)
[3H]NECA
N-ethyl-5'-carboxamidoadenosine
[ Show all ]
Inchi KeyJADDQZYHOWSFJD-FLNNQWSLSA-N
Inchi IDInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
PubChem CID448222
ChEMBLCHEMBL464859
IUPHAR377, 425
BindingDB21220
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: 34
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1457782-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337
5397175-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5397115-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5397185-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5397105-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5397095-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5397205-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5397155-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5397195-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5397165-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5397125-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5397145-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
145763Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
145765Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
145766Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
145770Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
145773Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
145781Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
145764Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
145775Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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