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Ligand

NameCHEMBL3958178
Molecular formulaC24H27N5
IUPAC name(8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Molecular weight385.515
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM221799
SCHEMBL13510455
US9314468, Table 7, Compound 86
Inchi KeyANEBBEKYLUMKMR-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H27N5/c25-12-5-15-29-22-10-2-1-8-18(22)19-11-14-26-21(24(19)29)16-28-20-9-3-6-17-7-4-13-27-23(17)20/h1-2,4,7-8,10-11,13-14,20,28H,3,5-6,9,12,15-16,25H2/t20-/m0/s1
PubChem CID59176531
ChEMBLCHEMBL3958178
IUPHARN/A
BindingDB221799
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
536234C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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