JNJ 7777120   Click here for help

GtoPdb Ligand ID: 1278

Synonyms: JNJ-7777120
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 39.34
Molecular weight 277.1
XLogP 2
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl
Isomeric SMILES CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl
InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
1. Lim HD, van Rijn RM, Ling P, Bakker RA, Thurmond RL, Leurs R. (2005)
Evaluation of histamine H1-, H2-, and H3-receptor ligands at the human histamine H4 receptor: identification of 4-methylhistamine as the first potent and selective H4 receptor agonist.
J Pharmacol Exp Ther, 314 (3): 1310-21. [PMID:15947036]
2. Smits RA, Lim HD, Stegink B, Bakker RA, de Esch IJ, Leurs R. (2006)
Characterization of the histamine H4 receptor binding site. Part 1. Synthesis and pharmacological evaluation of dibenzodiazepine derivatives.
J Med Chem, 49 (15): 4512-6. [PMID:16854056]
3. Thurmond RL, Desai PJ, Dunford PJ, Fung-Leung WP, Hofstra CL, Jiang W, Nguyen S, Riley JP, Sun S, Williams KN, Edwards JP, Karlsson L. (2004)
A potent and selective histamine H4 receptor antagonist with anti-inflammatory properties.
J Pharmacol Exp Ther, 309: 404-413. [PMID:14722321]