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Ligand

NameCHEMBL3965697
Molecular formulaC19H17N5O4
IUPAC name4-nitro-N-[[6-[(4-nitroanilino)methyl]pyridin-2-yl]methyl]aniline
Molecular weight379.376
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
SynonymsN/A
Inchi KeyCWCCJSLANPUWNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17N5O4/c25-23(26)18-8-4-14(5-9-18)20-12-16-2-1-3-17(22-16)13-21-15-6-10-19(11-7-15)24(27)28/h1-11,20-21H,12-13H2
PubChem CID21130257
ChEMBLCHEMBL3965697
IUPHARN/A
BindingDBN/A
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
537275C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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