AMITIFADINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII R01R720TVG

Structure

InChI Key KAGBHVBIOJBGBD-NINOIYOQSA-N
Smiles Cl.Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl
InChI
InChI=1S/C11H11Cl2N.ClH/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;/h1-3,8,14H,4-6H2;1H/t8-,11+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12Cl3N
Molecular Weight 264.58
AlogP 2.85
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 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 71-411 - 15.85-79.43 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 71-411 - 15.85-79.43 -

Cross References

Resources Reference
ChEMBL CHEMBL1818442
FDA SRS R01R720TVG
PubChem 11680542
SureChEMBL SCHEMBL4187671
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