JNJ-10191584   Click here for help

GtoPdb Ligand ID: 1277

Synonyms: compound 12 [1] | JNJ 10191584 | VUF 6002 | VUF6002
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: JNJ-10191584 is a selective, orally active antagonist of the histamine H4 receptor [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.23
Molecular weight 278.09
XLogP 1.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl
Isomeric SMILES CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl
InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChI Key MOIWSUQWIOVGRH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
Synonyms Click here for help
compound 12 [1] | JNJ 10191584 | VUF 6002 | VUF6002
Database Links Click here for help
BindingDB Ligand 50179335
CAS Registry No. 73903-17-0 (source: Scifinder)
ChEMBL Ligand CHEMBL185951
GtoPdb PubChem SID 135649827
PubChem CID 10446295
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Wikipedia VUF-6002