Details of the Drug

General Information of Drug (ID: DMVFJR4)

Drug Name
VUF 5681
Synonyms
CHEMBL78498; 4-[3-(1h-imidazol-4-yl)propyl]piperidine; 768358-61-8; VUF-5681; 4-[3-(1H-IMIDAZOL-4-YL)-PROPYL]-PIPERIDINE; SCHEMBL15139142; CHEBI:93084; ZINC13530263; BDBM50409817; AKOS006290761; NCGC00167742-01; KB-333611
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 193.29
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H19N3
IUPAC Name
4-[3-(1H-imidazol-5-yl)propyl]piperidine
Canonical SMILES
C1CNCCC1CCCC2=CN=CN2
InChI
InChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)
InChIKey
YPGRNKJNOSUCLY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10330240
ChEBI ID
CHEMBL78498
CAS Number
768358-61-8
TTD ID
D01CJZ
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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 [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.