AMITIFADINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GE0J375F8F

Structure
InChI Key BSMNRYCSBFHEMQ-KCJUWKMLSA-N
Smile Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl
InChI
InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11Cl2N
Molecular Weight 228.12
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

Action Mechanism of Action Reference
INHIBITOR Monoamine transporter inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 800 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 1600 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 99000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 780-7000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 1300-8800 - - -
Enzyme Transferase
- - - - 23.26
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -21.98--6.4
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10000-21000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 12-723 - 19.95-141.25 -

Cross References

Resources Reference
ChEMBL CHEMBL592374
DrugBank DB05964
FDA SRS GE0J375F8F
PubChem 11658655
SureChEMBL SCHEMBL378242
ZINC ZINC000000003189
CONTENTS