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Gene Set: D4 : TTD - IRL-2500

Collection D4 : TTD
Chemical Name IRL-2500 ( From PubChem : IRL-2500 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
573.681 g/mol 3 6 6.338 False(2/4)
Structure
InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1
InChIKey UZDORQWMYRRLQV-JHOUSYSJSA-N
Links

Gene (5 / 11)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorEDNRBSuccessful target
PubChem PotencyuM10.000CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM31.623KAT2A-GI(Protien) :
PubChem PotencyuM79.433USP1-GI(Protien) :
ChEMBLPotencynM15848.900CASP7
-Target : CHEMBL3468
ChEMBLPotencynM15848.900CASP7
-Target : CHEMBL3468
ChEMBLPotencynM31622.800CASP7
-Target : CHEMBL3468
ChEMBLPotencynM10000.000CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM10000.000CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM31622.800KAT2A
-Target : CHEMBL5501
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