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
SMILES / InChI / InChIKey
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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
InChI Key COOGVHJHSCBOQT-MRVPVSSYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
Synonyms Click here for help
JNJ 39758979 | JNJ39758979
Database Links Click here for help
BindingDB Ligand 50006789
ChEMBL Ligand CHEMBL3236549
GtoPdb PubChem SID 310264764
PubChem CID 24994634
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