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Ligand

NameCHEMBL2031838
Molecular formulaC41H46FN7O2
IUPAC nameN-[(2S)-5-(diaminomethylideneamino)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]-4-[[2-(4-fluorophenyl)ethyl-(2-pyridin-2-ylethyl)amino]methyl]benzamide
Molecular weight687.864
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.7
Synonyms4-[[2-(4-fluorophenyl)ethyl-[2-(2-pyridyl)ethyl]amino]methyl]-N-[(1S)-4-guanidino-1-[[(1S)-1-(1-naphthyl)ethyl]carbamoyl]butyl]benzamide
Inchi KeyBQJYGXHBKYDNDO-HTOJEEBVSA-N
Inchi IDInChI=1S/C41H46FN7O2/c1-29(36-12-6-9-32-8-2-3-11-37(32)36)47-40(51)38(13-7-25-46-41(43)44)48-39(50)33-18-14-31(15-19-33)28-49(27-23-35-10-4-5-24-45-35)26-22-30-16-20-34(42)21-17-30/h2-6,8-12,14-21,24,29,38H,7,13,22-23,25-28H2,1H3,(H,47,51)(H,48,50)(H4,43,44,46)/t29-,38-/m0/s1
PubChem CID70685914
ChEMBLCHEMBL2031838
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30391C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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