Details of the Drug

General Information of Drug (ID: DMS30KU)

Drug Name

(R)-Norfluoxetine

Synonyms

130194-43-3; UNII-05UQ1299DN; (R)-3-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine; CHEMBL446084; 05UQ1299DN; (R)-3-(4-Trifluoromethylphenoxy)-3-phenylpropylamine; Norfluoxetine, (R)-; (3r)-3-Phenyl-3-[4-(Trifluoromethyl)phenoxy]propan-1-Amine; R-Norfluoxetine; SCHEMBL3750512; CTK8E9557; MolPort-028-616-048; ZINC1645453; Benzenepropanamine, gamma-(4-(trifluoromethyl)phenoxy)-, (gammaR)-; BDBM50254791; 9049AH; AKOS027384575; NE64378; AJ-28674; RT-014016; FT-0673087; J-005760

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

295.3

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H16F3NO
IUPAC Name: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Canonical SMILES: C1=CC=C(C=C1)[C@@H](CCN)OC2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
InChIKey: WIQRCHMSJFFONW-OAHLLOKOSA-N

Cross-matching ID

PubChem CID: 9797657
CAS Number: 130194-43-3
TTD ID: D02ENH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Jan 1;17(1):337-43.