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Ligand

NameAC1LRTVN
Molecular formulaC22H19FN2O3S
IUPAC nameN-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
Molecular weight410.463
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsASN 06915595
MLS000529542
CHEMBL1403902
HMS2378O13
ZINC1324355
[ Show all ]
Inchi KeyAEKGQMQAJSKLIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19FN2O3S/c1-27-19-8-7-16(11-20(19)28-2)24-22(26)18-12-21-17(9-10-29-21)25(18)13-14-3-5-15(23)6-4-14/h3-12H,13H2,1-2H3,(H,24,26)
PubChem CID1428044
ChEMBLCHEMBL1403902
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
3555Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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