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Ligand

NameCHEMBL1097693
Molecular formulaC23H21F7N2O2
IUPAC name(6R,7S,8S)-2-amino-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
Molecular weight490.422
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL4471294
AAMSRIRJJDBNAA-ISIYWYIMSA-N
BDBM50313627
(6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)tetrahydro-1H-pyrrolizin-3(2H)-one
(6R,7S,7aS)-2-amino-6-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-7-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one
Inchi KeyAAMSRIRJJDBNAA-ISIYWYIMSA-N
Inchi IDInChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/m1/s1
PubChem CID24752568
ChEMBLCHEMBL1097693
IUPHARN/A
BindingDB50313627
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
347Substance-P receptorP25103TACR1Homo sapiens (Human)407

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