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Gene Set: D1 - Approved - ESCITALOPRAM

Collection D1 : Approved
Chemical Name ESCITALOPRAM
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
324.392 g/mol 0 3 3.81298 True
Structure
InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
InChIKey WSEQXVZVJXJVFP-FQEVSTJZSA-N
Links

Gene (3 / 11)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
PubChem PotencyuM3.162CYP2C19-GI(Protien) :
PubChem uMCYP2C19-GI(Protien) :
PubChem PotencyuM3.162CYP2C9-GI(Protien) :
PubChem uMCYP2C9-GI(Protien) :
PubChem KiuM0.001SLC6A4GI(Protien) :
PubChem KiuM0.001SLC6A4GI(Protien) :
PubChem IC50uM4.600SLC6A4GI(Protien) :
ChEMBLAC50nM3162.280CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM3162.300CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM3162.300CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM3162.280CYP2C9
-Target : CHEMBL3397
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