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Ligand

NameCHEMBL3981053
Molecular formulaC27H32N6O
IUPAC name2-[1-[[4-aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide
Molecular weight456.594
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsSCHEMBL15081989
BDBM221866
US9314468, Table 8, Compound 4
Inchi KeyABDLOXDCMBBRCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)
PubChem CID72535462
ChEMBLCHEMBL3981053
IUPHARN/A
BindingDB221866
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
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GLASS IDNameUniProtGeneSpeciesLength
535929C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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