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Ligand

NameMLS004576082
Molecular formulaC18H15F3N2O6
IUPAC name3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(nitromethyl)-5-(trifluoromethoxy)indol-2-one
Molecular weight412.321
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsSMR003378507
CHEMBL2381692
VU0462442-2
3-hydroxy-1-(4-methoxybenzyl)-3-(nitromethyl)-5-(trifluoromethoxy)indolin-2-one
Inchi KeyBKLKQXXGFNYIFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15F3N2O6/c1-28-12-4-2-11(3-5-12)9-22-15-7-6-13(29-18(19,20)21)8-14(15)17(25,16(22)24)10-23(26)27/h2-8,25H,9-10H2,1H3
PubChem CID57525867
ChEMBLCHEMBL2381692
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25886Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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