CENTANAFADINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D2A6T4UH9C

Structure
InChI Key HKHCSWPSUSWGLI-CABCVRRESA-N
Smile c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1
InChI
InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N
Molecular Weight 209.29
AlogP 2.7
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine transporter inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 10 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 3 D001289 ClinicalTrials
Smoking Cessation 2 D016540 ClinicalTrials
Feeding and Eating Disorders 2 D001068 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301621
DrugBank DB14841
FDA SRS D2A6T4UH9C
PubChem 16095349
SureChEMBL SCHEMBL4187417
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