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Gene Set: D4 : TTD - BRECANAVIR

Collection D4 : TTD
Chemical Name BRECANAVIR ( From PubChem : BRECANAVIR )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
703.823 g/mol 2 14 5.3374 False(1/4)
Structure
InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26?,27-,28+,31-,32?/m0/s1
InChIKey JORVRJNILJXMMG-NRVFVEPPSA-N
Links

Gene (1 / 2)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorABCB1Research target
ChEMBLActivity-ABCB1
-Target : CHEMBL4302
Download gene sets gmt, text, Detailed text
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