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Ligand

NameCHEMBL249854
Molecular formulaC27H36FN5O3S
IUPAC name1-[(3S,4S)-1-acetyl-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidin-3-yl]-3-(5-acetyl-4-methyl-1,3-thiazol-2-yl)urea
Molecular weight529.675
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL18844251
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-acetylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
BDBM50209974
Inchi KeyZFRLEPMXXGKKBN-WPFOTENUSA-N
Inchi IDInChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
PubChem CID11953409
ChEMBLCHEMBL249854
IUPHARN/A
BindingDB50209974
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4272845-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
427281C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
427282D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
427283Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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