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Ligand

NameCHEMBL249857
Molecular formulaC27H37FN6O3S
IUPAC name(3S,4S)-3-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoylamino]-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide
Molecular weight544.69
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
Synonyms1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
BDBM50209982
SCHEMBL18844278
Inchi KeyAYMZHWSWFBAEIT-QNWVGRARSA-N
Inchi IDInChI=1S/C27H37FN6O3S/c1-17-24(18(2)35)38-26(30-17)32-25(36)31-23-16-34(27(37)29-3)12-10-21(23)15-33-11-4-5-20(14-33)13-19-6-8-22(28)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H,29,37)(H2,30,31,32,36)/t20-,21-,23+/m0/s1
PubChem CID44445886
ChEMBLCHEMBL249857
IUPHARN/A
BindingDB50209982
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17602C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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