DOTHIEPIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W13O82Z7HL

Structure
InChI Key PHTUQLWOUWZIMZ-GZTJUZNOSA-N
Smile CN(C)CC/C=C1\c2ccccc2CSc2ccccc21
InChI
InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21NS
Molecular Weight 295.45
AlogP 4.68
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 36803
ChEMBL CHEMBL1492500
DrugBank DB09167
DrugCentral 951
EPA CompTox DTXSID30873547
FDA SRS W13O82Z7HL
SureChEMBL SCHEMBL684145
ZINC ZINC000000020249
CONTENTS