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Ligand

NameCHEMBL2180078
Molecular formulaC32H38N8O6
IUPAC name2-[3-[(2S,5S,11R)-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Molecular weight630.706
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.8
SynonymsCHEMBL2220429
BDBM50399000
Inchi KeyCGEOGQIRVHRNEK-NXCFDTQHSA-N
Inchi IDInChI=1S/C32H38N8O6/c33-32(34)35-13-3-6-24-31(46)40-26(16-20-7-10-21-4-1-2-5-22(21)14-20)30(45)37-18-28(43)39-25(29(44)36-17-27(42)38-24)15-19-8-11-23(41)12-9-19/h1-2,4-5,7-12,14,24-26,41H,3,6,13,15-18H2,(H,36,44)(H,37,45)(H,38,42)(H,39,43)(H,40,46)(H4,33,34,35)/t24-,25+,26-/m0/s1
PubChem CID71462701
ChEMBLN/A
IUPHARN/A
BindingDB50399000
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41254C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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