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Gene Set: D4 : TTD - Selegiline

Collection D4 : TTD
Chemical Name Selegiline ( From PubChem : SELEGILINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
187.281 g/mol 0 1 2.1826 True
Structure
InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKey MEZLKOACVSPNER-GFCCVEGCSA-N
Links

Gene (8 / 15)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorMAOBSuccessful target
TTDDrug(s)MAOBSuccessful target
TTDAntagonistTACR1Successful target
TTDDrug(s)TACR1Successful target
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
ChEMBLInhibition-CYP2C19
-Target : CHEMBL3622
ChEMBLInhibition-CYP2C9
-Target : CHEMBL3397
ChEMBLInhibition-CYP2D6
-Target : CHEMBL289
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLInhibition-MAOA
-Target : CHEMBL1951
ChEMBLInhibition-MAOA
-Target : CHEMBL1951
ChEMBLInhibition-MAOB
-Target : CHEMBL2039
ChEMBLInhibition-MAOB
-Target : CHEMBL2039
ChEMBLInhibition-MAOB
-Target : CHEMBL2039
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