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Ligand

NameCHEMBL3976878
Molecular formulaC31H34N6
IUPAC nameN-(pyridin-2-ylmethyl)-N'-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
Molecular weight490.655
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsSCHEMBL13509630
US9314468, Table 7, Compound 4
BDBM221717
Inchi KeyBKTYGKVLRGWGKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34N6/c1-2-13-27-25(12-1)26-15-19-34-28(31(26)36-27)22-37(29-14-7-9-23-10-8-18-35-30(23)29)20-6-5-16-32-21-24-11-3-4-17-33-24/h1-4,8,10-13,15,17-19,29,32,36H,5-7,9,14,16,20-22H2
PubChem CID70923310
ChEMBLCHEMBL3976878
IUPHARN/A
BindingDB221717
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
536670C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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