Details of the Drug

General Information of Drug (ID: DMOY9J8)

Drug Name
(-)-norfenfluramine
Synonyms
l-norfenfluramine; 37577-22-3; (R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE; UNII-ODG984O60W; ODG984O60W; (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine; Benzeneethanamine, a-methyl-3-(trifluoromethyl)-, (; (R)-Norfenfluramin; (R)-Norfenfluramine; Norfenfluramine, (R)-; GTPL217; (R)-1-(3-(trifluoromethyl)phenyl)propan-2-amine; SCHEMBL895637; CHEMBL250881; BDBM85598; CTK4H8426; MLBHFBKZUPLWBD-SSDOTTSWSA-N; CHEBI:125653; ZINC2039145; PDSP1_000697; PDSP2_000687; PDSP1_001422; AKOS030231006
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 203.2
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H12F3N
IUPAC Name
(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Canonical SMILES
C[C@H](CC1=CC(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1
InChIKey
MLBHFBKZUPLWBD-SSDOTTSWSA-N
Cross-matching ID
PubChem CID
12895728
ChEBI ID
CHEMBL125653
CAS Number
37577-22-3
TTD ID
D0H3MO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [2]
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 2B receptor (HTR2B) DTT HTR2B 2.08E-01 -0.05 -0.23
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: 217).
2 Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications. Circulation. 2000 Dec 5;102(23):2836-41.