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Ligand

NameCHEMBL1088916
Molecular formulaC23H31N5
IUPAC nameN'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
Molecular weight377.536
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsN1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
SCHEMBL2511014
BDBM50315297
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
Inchi KeyCUOZNADPDYAGTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27)
PubChem CID46204210
ChEMBLCHEMBL1088916
IUPHARN/A
BindingDB50315297
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
50978C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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