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Ligand

NameSMR000172889
Molecular formulaC28H31N3O4
IUPAC nameN-cyclohexyl-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
Molecular weight473.573
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
SynonymsASN 04883130
N-cyclohexyl-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
HMS2417L13
REGID_for_CID_3190953
AC1ML8LS
[ Show all ]
Inchi KeyAEGNAFCVMWVJIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O4/c1-19-13-14-25(35-19)27(28(33)30-21-8-3-2-4-9-21)31(18-22-10-7-15-34-22)26(32)16-20-17-29-24-12-6-5-11-23(20)24/h5-7,10-15,17,21,27,29H,2-4,8-9,16,18H2,1H3,(H,30,33)
PubChem CID3190953
ChEMBLCHEMBL1416346
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
3446Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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