Details of the Drug

General Information of Drug (ID: DM8ZTPF)

Drug Name

(S)-Norfluoxetine

Synonyms

126924-38-7; SEPROXETINE; UNII-25CO3X0R31; (S)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE; CHEMBL465123; (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; 25CO3X0R31; (S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine; Seproxetine [INN]; S-Norfluoxetine; AC1MHW5Z; SCHEMBL272873; ZINC4531; CTK8E9555; MolPort-005-941-621; 9173AH; BDBM50254790; AKOS027384574; DB06731; AJ-08214; RT-014029; FT-0673089; NFL_296.1257_14.5; J-005451

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 4 - 16 days [2]

Adverse Drug Reaction (ADR)

ADR Term	Variation	Related DOT	DOT ID	REF
Fracture	Not Available	RUNX2 AML3 CBFA1 OSF2 PEBP2A	OT97RQQM	[3]
Fracture	Not Available	SPP1 BNSP OPN PSEC0156	OTJGC23Y	[3]
Fracture	Not Available	SPARC ON	OTPN90H0	[3]
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Chemical Identifiers

Formula: C16H16F3NO
IUPAC Name: (3S)-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-/m0/s1
InChIKey: WIQRCHMSJFFONW-HNNXBMFYSA-N

Cross-matching ID

PubChem CID: 3058751
CAS Number: 126924-38-7
UNII: 25CO3X0R31
DrugBank ID: DB06731
TTD ID: D08AWN
VARIDT ID: DR00906

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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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Osteopontin (SPP1)	OTJGC23Y	OSTP_HUMAN	Drug Response	[3]
Runt-related transcription factor 2 (RUNX2)	OT97RQQM	RUNX2_HUMAN	Drug Response	[3]
SPARC (SPARC)	OTPN90H0	SPRC_HUMAN	Drug Response	[3]

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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
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.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.