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Ligand

NameCHEMBL3935318
Molecular formulaC28H36N6
IUPAC nameN'-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight456.638
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsUS9314468, Table 7, Compound 95
US9314468, Table 9, Compound 9
BDBM221808
SCHEMBL13510472
Inchi KeyANWJCECNNDZVCW-SANMLTNESA-N
Inchi IDInChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1
PubChem CID59176357
ChEMBLCHEMBL3935318
IUPHARN/A
BindingDB221808
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
536247C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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