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Ligand

NameCHEMBL414577
Molecular formulaC39H28N4Na6O23S6
IUPAC namehexasodium;8-[[4-(methoxymethyl)-3-[[2-(methoxymethyl)-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1250.96
Hydrogen bond acceptor23
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyHLWNHWJPPOZTCP-UHFFFAOYSA-H
Inchi IDInChI=1S/C39H34N4O23S6.6Na/c1-65-17-21-5-3-19(37(44)40-27-7-9-31(69(53,54)55)25-13-23(67(47,48)49)15-33(35(25)27)71(59,60)61)11-29(21)42-39(46)43-30-12-20(4-6-22(30)18-66-2)38(45)41-28-8-10-32(70(56,57)58)26-14-24(68(50,51)52)16-34(36(26)28)72(62,63)64;;;;;;/h3-16H,17-18H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;;/q;6*+1/p-6
PubChem CID11665341
ChEMBLCHEMBL414577
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118336P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
118337P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
118335P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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