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Ligand

NameCHEMBL3091692
Molecular formulaC29H41N5O2
IUPAC name2-[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholin-4-ylethanone
Molecular weight491.68
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
Synonyms2-[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholino-ethanone
BDBM50443550
Inchi KeyCSBQEOIXCUQRGT-SXOMAYOGSA-N
Inchi IDInChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1
PubChem CID72546064
ChEMBLCHEMBL3091692
IUPHARN/A
BindingDB50443550
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
49332C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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