NS-2359

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 76H76554PA

Structure
InChI Key PGYDXVBZYKQYCS-VPWBDBDCSA-N
Smile COC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C
InChI
InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21Cl2NO
Molecular Weight 314.26
AlogP 4.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine transporter inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297385
DrugBank DB05805
EPA CompTox DTXSID70173250
FDA SRS 76H76554PA
PubChem 68470595
SureChEMBL SCHEMBL2996257
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