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Gene Set: D4 : TTD - Itraconazole

Collection D4 : TTD
Chemical Name Itraconazole ( From PubChem : ITRACONAZOLE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedApprovedNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
705.633 g/mol 0 12 5.7073 False(1/4)
Structure
InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1
InChIKey VHVPQPYKVGDNFY-DFMJLFEVSA-N
Links

Gene (6 / 10)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCYP51A1Successful target
TTDDrug(s)CYP51A1Successful target
PubChem ER Potency (uM)uM3.349ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM13.333ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM2.818NFE2L2-GI(Protien) :
PubChem Potency-Replicate_1uM8.412NR1H4-GI(Protien) :
PubChem NoneuMNR1H4-GI(Protien) :
ChEMBLInhibition-AVPR2
-Target : CHEMBL1790
ChEMBLInhibition-AVPR2
-Target : CHEMBL1790
ChEMBLInhibition-KDR
-Target : CHEMBL279
Download gene sets gmt, text, Detailed text
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