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Ligand

NameCHEMBL50194
Molecular formulaC29H41N7O2
IUPAC name1-[3-[(2R,4S)-4-benzyl-2-[(1S)-1-hydroxypentyl]piperidin-1-yl]propyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight519.694
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.6
Synonyms1-[3-[(2R)-2beta-[(S)-1-Hydroxypentyl]-4beta-benzylpiperidino]propyl]-3-[3-(1-methyl-1H-tetrazole-5-yl)phenyl]urea
BDBM50115051
1-{3-[(2R,4S)-4-Benzyl-2-((S)-1-hydroxy-pentyl)-piperidin-1-yl]-propyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Inchi KeyBAAFLUWVDPBRCL-MVNQZMKCSA-N
Inchi IDInChI=1S/C29H41N7O2/c1-3-4-14-27(37)26-20-23(19-22-10-6-5-7-11-22)15-18-36(26)17-9-16-30-29(38)31-25-13-8-12-24(21-25)28-32-33-34-35(28)2/h5-8,10-13,21,23,26-27,37H,3-4,9,14-20H2,1-2H3,(H2,30,31,38)/t23-,26-,27+/m1/s1
PubChem CID44295462
ChEMBLCHEMBL50194
IUPHARN/A
BindingDB50115051
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
18667C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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