General Information of Drug (ID: DM5L23N)

Drug Name
JNJ-5207852
Synonyms
398473-34-2; JNJ-5207852; UNII-4I9OVB1G7D; JNJ 5207852; 1-[4-(3-piperidinopropoxy)benzyl]piperidine; 4I9OVB1G7D; CHEMBL129542; JNJ 5207852 dihydrochloride; 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine; Piperidine, 1-(3-(4-(1-piperidinylmethyl)phenoxy)propyl)-; 1-(3-(4-((Piperidin-1-yl)methyl)phenoxy)propyl)piperidine; 1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piperidine; Piperidine, 1-[3-[4-(1-piperidinylmethyl)phenoxy]propyl]-; 1-(3-{4-[(piperidin-1-yl)methyl]phenoxy}propyl)piperidine; AC1MCCJO
Indication
Disease Entry ICD 11 Status REF
Narcolepsy 7A20 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H32N2O
IUPAC Name
1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
Canonical SMILES
C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3
InChI
InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChIKey
PTKHFRNHJULJKT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2766326
CAS Number
398473-34-2
TTD ID
D03QGB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H3 receptor (H3R) TT9JNIC HRH3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Narcolepsy
ICD Disease Classification 7A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H3 receptor (H3R) DTT HRH3 3.62E-02 -0.09 -0.22
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1256).
2 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.