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Ligand

NameCHEMBL143156
Molecular formulaC27H30F6N2O2
IUPAC name1-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylethanone
Molecular weight528.539
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50067961
L018322
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-2-pyrrolidin-1-yl-ethanone
1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(pyrrolidine-1-yl)ethanone
Inchi KeyABRLODMDKOBAGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30F6N2O2/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)8-12-35(13-9-25)24(36)17-34-10-4-5-11-34/h1-3,6-7,14-16H,4-5,8-13,17-19H2
PubChem CID10101238
ChEMBLCHEMBL143156
IUPHARN/A
BindingDB50067961
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1104Substance-P receptorP25103TACR1Homo sapiens (Human)407
1105Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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