General Information of Drug (ID: DM4NEOU)

Drug Name
4-(4-Fluoro-benzyl)-piperidine hydrochloride
Synonyms
4-(4-Fluorobenzyl)piperidine hydrochloride; 92822-03-2; 193357-52-7; C12H17ClFN; CHEMBL1204355; 4-(4-Fluoro-benzyl)-piperidine hydrochloride; 4-(4'-FLUOROBENZYL)PIPERIDINE HYDROCHLORIDE; Piperidine, 4-[(4-fluorophenyl)methyl]-, hydrochloride; 4-(4-FLUOROBENZYL)PIPERIDINE HCL; AK134910; 4-[(4-fluorophenyl)methyl]piperidine Hydrochloride; 4-(4-FLUOROBENZYL)PIPERIDINE HYDROCHLORIDE Salt; SCHEMBL4247331; KS-00000DOL; CTK7C0359; DTXSID30588780; MolPort-001-778-599; OJKWWANXBGLGQN-UHFFFAOYSA-N; 4NPA-Q05-1; ZX-AV000292; ZX-CM003409
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 229.72
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C12H17ClFN
IUPAC Name
4-[(4-fluorophenyl)methyl]piperidine;hydrochloride
Canonical SMILES
C1CNCCC1CC2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C12H16FN.ClH/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
InChIKey
OJKWWANXBGLGQN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17039492
CAS Number
193357-52-7
TTD ID
D05USH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. J Med Chem. 1992 Dec 25;35(26):4903-10.