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Ligand

NameCHEMBL400148
Molecular formulaC26H24F7NO2
IUPAC name3-[(3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-methylcyclopent-2-en-1-one
Molecular weight515.472
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50218220
3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-5-methylcyclopent-2-enone
Inchi KeyADVMQYYUVBVGSB-OGINWGRTSA-N
Inchi IDInChI=1S/C26H24F7NO2/c1-14-7-21(11-23(14)35)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1
PubChem CID44444685
ChEMBLCHEMBL400148
IUPHARN/A
BindingDB50218220
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3121Substance-P receptorP25103TACR1Homo sapiens (Human)407

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