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Ligand

NameCHEMBL3918137
Molecular formulaC33H31N5O2
IUPAC name2-[3-[1-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]propyl]isoindole-1,3-dione
Molecular weight529.644
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsUS9314468, Table 7, Compound 74
BDBM221787
SCHEMBL13510424
Inchi KeyCVOFDCHMJDTJQF-LJAQVGFWSA-N
Inchi IDInChI=1S/C33H31N5O2/c1-36(29-15-6-9-22-10-7-17-35-30(22)29)21-27-31-24(16-18-34-27)23-11-4-5-14-28(23)37(31)19-8-20-38-32(39)25-12-2-3-13-26(25)33(38)40/h2-5,7,10-14,16-18,29H,6,8-9,15,19-21H2,1H3/t29-/m0/s1
PubChem CID59176576
ChEMBLCHEMBL3918137
IUPHARN/A
BindingDB221787
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
537265C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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