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Ligand

NameGR 89696 fumarate
Molecular formulaC23H29Cl2N3O7
IUPAC name(E)-but-2-enedioic acid;methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Molecular weight530.399
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsGR-89696 fumarate
126766-32-3
GR 89696
GR 89696 fumarate salt
GR 85571
[ Show all ]
Inchi KeyABTNETSDXZBJTE-WLHGVMLRSA-N
Inchi IDInChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID6442840
ChEMBLCHEMBL1256865
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
1165Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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