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Ligand

NameCHEMBL398889
Molecular formulaC29H40FN5O2S
IUPAC name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(3S,4S)-1-(cyclopropylmethyl)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidin-3-yl]urea
Molecular weight541.73
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL18844431
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(cyclopropylmethyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
BDBM50210021
Inchi KeyBGRYRZFRZVJJFE-KYPHJKQUSA-N
Inchi IDInChI=1S/C29H40FN5O2S/c1-19-27(20(2)36)38-29(31-19)33-28(37)32-26-18-35(15-22-5-6-22)13-11-24(26)17-34-12-3-4-23(16-34)14-21-7-9-25(30)10-8-21/h7-10,22-24,26H,3-6,11-18H2,1-2H3,(H2,31,32,33,37)/t23-,24-,26+/m0/s1
PubChem CID44445893
ChEMBLCHEMBL398889
IUPHARN/A
BindingDB50210021
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
23379C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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