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Ligand

NameCHEMBL3974711
Molecular formulaC31H39N5O2
IUPAC nametert-butyl 2-[3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate
Molecular weight513.686
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM221771
SCHEMBL13510405
US9314468, Table 7, Compound 58
Inchi KeyAOOHTIPPARZMSX-MHZLTWQESA-N
Inchi IDInChI=1S/C31H39N5O2/c1-31(2,3)38-29(37)21-36-26-13-5-4-12-24(26)25-18-23(34-19-28(25)36)20-35(17-7-6-15-32)27-14-8-10-22-11-9-16-33-30(22)27/h4-5,9,11-13,16,18-19,27H,6-8,10,14-15,17,20-21,32H2,1-3H3/t27-/m0/s1
PubChem CID59176632
ChEMBLCHEMBL3974711
IUPHARN/A
BindingDB221771
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
536254C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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