JNJ-39758979   Click here for help

GtoPdb Ligand ID: 8984

Synonyms: JNJ 39758979 | JNJ39758979
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: JNJ-39758979 is a selective histamine H4 receptor antagonist [4] with anti-inflammatory potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 81.06
Molecular weight 221.16
XLogP 0.97
No. Lipinski's rules broken 0
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Canonical SMILES NC1CCN(C1)c1cc(nc(n1)N)C(C)C
Isomeric SMILES N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C
InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
Bioactivity Comments
Preclinical data are reported in [5].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
H4 receptor Hs Antagonist Antagonist 7.9 pKi - 3-4
pKi 7.9 (Ki 1.25x10-8 M) [3-4]
H1 receptor Hs Antagonist Antagonist <6.0 pKi - 3
pKi <6.0 (Ki >1x10-6 M) [3]
H2 receptor Hs Antagonist Antagonist <6.0 pKi - 3
pKi <6.0 (Ki >1x10-6 M) [3]
H3 receptor Hs Antagonist Antagonist 6.0 pKi - 3
pKi 6.0 (Ki 1x10-6 M) [3]