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Ligand

NameCHEMBL1083260
Molecular formulaC21H40N3O20P3
IUPAC nameN,N-diethylethanamine;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate
Molecular weight747.473
Hydrogen bond acceptor21
Hydrogen bond donor10
XlogPNone
SynonymsN/A
Inchi KeyCBWKDARXJWEMFT-NVLFUPLVSA-N
Inchi IDInChI=1S/C15H25N2O20P3.C6H15N/c18-3-5-8(20)10(22)12(24)14(34-5)35-39(28,29)37-40(30,31)36-38(26,27)32-4-6-9(21)11(23)13(33-6)17-2-1-7(19)16-15(17)25;1-4-7(5-2)6-3/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,16,19,25);4-6H2,1-3H3/t5-,6-,8-,9-,10+,11-,12-,13-,14-;/m1./s1
PubChem CID46831951
ChEMBLCHEMBL1083260
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
38297P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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