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Gene Set: D4 : TTD - RO-194603

Collection D4 : TTD
Chemical Name RO-194603 ( From PubChem : RO 19-4603 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
319.379 g/mol 0 7 2.4126 True
Structure
InChI InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
InChIKey ZIGMMUKDYCABPW-UHFFFAOYSA-N
Links

Gene (7 / 16)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGABRA1Successful target
TTDInhibitorGABRB2Successful target
TTDInhibitorGABRG2Successful target
PubChem PotencyuM11.220ALDH1A1-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM1.259CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM5.012CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
ChEMBLPotencynM11220.200ALDH1A1
-Target : CHEMBL3577
ChEMBLAC50nM15848.900CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM1258.930CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM1258.900CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM5011.870CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM5011.900CYP2C9
-Target : CHEMBL3397
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