e-Drug3D
1609
cas 83891-03-6
CLASS
NERVOUS SYSTEM
ANTIDEPRESSANT
SELECTIVE SEROTONIN REUPTAKE INHIBITORS (SSRIS)
INHIBITION OF CNS NEURONAL UPTAKE OF SEROTONIN
ROUTE (list)
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PK parameters
t1/2 240 HOUR
TARGET SODIUM-DEPENDENT SEROTONIN TRANSPORTER
PDB
4XDK (CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK2 (K2P10.1) IN COMPLEX WITH NORFLUOXETINE)
Ligand code = 405 (link to the list of PDB complexes)
Download experimental 3D coordinates of 405 with added hydrogens
Sodium-dependent serotonin transporter UNIPROT P31645 SLC6A4
Formula:
C16H16F3NO
Calculated chemical properties:
MW 295.30
NB_atoms 21
XLogP 4.17
PSA 34.317
NB_HD 2
NB_HA 2
fsp3 0.25
Lipinski(0=no;1=yes) 1
NB_atoms 21
XLogP 4.17
PSA 34.317
NB_HD 2
NB_HA 2
fsp3 0.25
Lipinski(0=no;1=yes) 1
FDA
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