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Ligand

NameCHEMBL70059
Molecular formulaC27H40N8O5
IUPAC name(2S)-2,6-diamino-N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]hexanamide
Molecular weight556.668
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.2
SynonymsBDBM50025678
2,6-Diamino-hexanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethyl)-amide
Inchi KeyAFUKOGGTPWMWJR-FQEVSTJZSA-N
Inchi IDInChI=1S/C27H40N8O5/c1-3-15-34-24-22(26(38)35(16-4-2)27(34)39)32-23(33-24)18-8-10-19(11-9-18)40-17-21(36)30-13-14-31-25(37)20(29)7-5-6-12-28/h8-11,20H,3-7,12-17,28-29H2,1-2H3,(H,30,36)(H,31,37)(H,32,33)/t20-/m0/s1
PubChem CID44308256
ChEMBLCHEMBL70059
IUPHARN/A
BindingDB50025678
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4518Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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