toreforant

Ligand id: 9276

Name: toreforant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 69.73
Molecular weight 392.27
XLogP 3.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
International Nonproprietary Names
INN number INN
10046 toreforant
Synonyms
JNJ-38518168
Database Links
CAS Registry No. 952494-46-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3301609
PubChem CID 23650961
Search Google for chemical match using the InChIKey FCRFVPZAXGJLPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FCRFVPZAXGJLPW
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Search UniChem for chemical match using the InChIKey FCRFVPZAXGJLPW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FCRFVPZAXGJLPW
Comments
Toreforant is a selective histamine H4 receptor antagonist claimed as Example 7 in patent WO2007117399 [1]. It is being investigated for its potential antiinflammarory action in allergy, asthma, autoimmune diseases, and pruritis.