UK-390957

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W26I0D1D6J

Structure
InChI Key VCNSPGHSQPMCFF-UHFFFAOYSA-N
Smile CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1
InChI
InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N2O3S2
Molecular Weight 352.48
AlogP 2.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 72.63
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL505147
DrugBank DB11719
EPA CompTox DTXSID10239425
FDA SRS W26I0D1D6J
SureChEMBL SCHEMBL931652
ZINC ZINC000000593140
CONTENTS