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: CHEBI:125653
CAS Number: 37577-22-3
TTD ID: D0H3MO

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)

MIA Detail

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)

MEA Detail

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.