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Ligand

NameCHEMBL1316937
Molecular formulaC25H21N3O6S
IUPAC nameN-(3,5-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
Molecular weight491.518
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsMolPort-005-281-658
HMS1833L18
ZINC8603979
AKOS001810362
MCULE-7451323404
[ Show all ]
Inchi KeyAMRLAXFJCULSEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21N3O6S/c1-32-17-10-15(11-18(12-17)33-2)26-21(29)14-27-22-19-7-3-4-8-20(19)35-23(22)24(30)28(25(27)31)13-16-6-5-9-34-16/h3-12H,13-14H2,1-2H3,(H,26,29)
PubChem CID16009825
ChEMBLCHEMBL1316937
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
9177Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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