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Ligand

NameCHEMBL480114
Molecular formulaC27H34N10O2
IUPAC name5-[3-(diaminomethylideneamino)propanoylamino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide
Molecular weight530.637
Hydrogen bond acceptor4
Hydrogen bond donor7
XlogP0.0
SynonymsSCHEMBL17974106
Inchi KeyCGZUGSQBAVEODG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N10O2/c28-26(29)33-10-3-13-37-22-7-6-19(36-24(38)9-12-34-27(30)31)14-18(22)15-23(37)25(39)32-11-8-17-16-35-21-5-2-1-4-20(17)21/h1-2,4-7,14-16,35H,3,8-13H2,(H,32,39)(H,36,38)(H4,28,29,33)(H4,30,31,34)
PubChem CID44561484
ChEMBLCHEMBL480114
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41781C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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