Structure

InChI Key LFMYNZPAVPMEGP-PIDGMYBPSA-N
Smile COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25F3N2O6
Molecular Weight 434.41
AlogP 3.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 56.84
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serotonin transporter inhibitor FDA Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
19.84
Nervous system disorders
18.59
General disorders and administration site conditions
12.54
Injury, poisoning and procedural complications
7.5
Investigations
5.23
Gastrointestinal disorders
4.98
Eye disorders
4.0
Musculoskeletal and connective tissue disorders
3.66
Cardiac disorders
3.54
Vascular disorders
3.38
Respiratory, thoracic and mediastinal disorders
3.18
Skin and subcutaneous tissue disorders
2.73
Metabolism and nutrition disorders
2.55

Cross References

Resources Reference
ChEBI 5139
ChEMBL CHEMBL1409
EPA CompTox DTXSID3042558
FDA SRS 5LGN83G74V
Guide to Pharmacology 7189
KEGG C07571
PDB FVX
PubChem 9560989
SureChEMBL SCHEMBL35225
ZINC ZINC03872605