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Ligand

NameCHEMBL204455
Molecular formulaC23H21NO3
IUPAC name(1R,2R)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
Molecular weight359.425
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsABFWFUAKPRLLAW-FCHUYYIVSA-N
racemic-(trans)-2-{4-[(3-phenoxybenzyl)amino]phenyl}cyclopropanecarboxylic acid
(+)-(trans)-2-{4-[(3-phenoxybenzyl)amino]phenyl}cyclopropanecarboxylic acid
SCHEMBL3734075
2alpha-[4-[(3-Phenoxybenzyl)amino]phenyl]cyclopropane-1beta-carboxylic acid
Inchi KeyABFWFUAKPRLLAW-FCHUYYIVSA-N
Inchi IDInChI=1S/C23H21NO3/c25-23(26)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-13,21-22,24H,14-15H2,(H,25,26)/t21-,22+/m0/s1
PubChem CID11739868
ChEMBLCHEMBL204455
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
816Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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