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Ligand

NameCHEMBL3944558
Molecular formulaC27H33N5
IUPAC nameN-ethyl-N'-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight427.596
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL13512500
US9314468, Table 7, Compound 32
BDBM221745
Inchi KeyBEESWRLDHICVKS-VWLOTQADSA-N
Inchi IDInChI=1S/C27H33N5/c1-2-28-15-5-6-18-32(25-13-7-9-20-10-8-16-30-26(20)25)19-24-27-22(14-17-29-24)21-11-3-4-12-23(21)31-27/h3-4,8,10-12,14,16-17,25,28,31H,2,5-7,9,13,15,18-19H2,1H3/t25-/m0/s1
PubChem CID70924166
ChEMBLCHEMBL3944558
IUPHARN/A
BindingDB221745
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
536520C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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