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Ligand

NameCHEMBL594266
Molecular formulaC17H22N6O2
IUPAC name4-[[[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid
Molecular weight342.403
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP-0.8
Synonyms4-((2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)methyl)benzoic acid
BDBM50304522
Inchi KeyBISUKAQGRPXHOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N6O2/c1-22-6-8-23(9-7-22)15-10-14(20-17(18)21-15)19-11-12-2-4-13(5-3-12)16(24)25/h2-5,10H,6-9,11H2,1H3,(H,24,25)(H3,18,19,20,21)
PubChem CID46228087
ChEMBLCHEMBL594266
IUPHARN/A
BindingDB50304522
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
24691Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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