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Ligand

NameCHEMBL3091682
Molecular formulaC26H38N4
IUPAC nameN-propan-2-yl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight406.618
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50443546
N-isopropyl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Inchi KeyBDYAGFDVEYDCAS-RPBOFIJWSA-N
Inchi IDInChI=1S/C26H38N4/c1-20(2)27-14-5-6-16-30(25-13-7-11-21-12-8-15-28-26(21)25)19-24-17-22-9-3-4-10-23(22)18-29-24/h3-4,8-10,12,15,20,24-25,27,29H,5-7,11,13-14,16-19H2,1-2H3/t24-,25+/m1/s1
PubChem CID72546295
ChEMBLCHEMBL3091682
IUPHARN/A
BindingDB50443546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21342C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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