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Ligand

NameCHEMBL1770975
Molecular formulaC15H27N5
IUPAC name6-N-(2,2-dimethylpropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
Molecular weight277.416
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.4
Synonyms(R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopentylpyridine-2,6-diamine
BDBM50343025
Inchi KeyBEYCZAXPXQZGCU-LLVKDONJSA-N
Inchi IDInChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1
PubChem CID54587788
ChEMBLCHEMBL1770975
IUPHARN/A
BindingDB50343025
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
22036Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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