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Gene Set: D4 : TTD - MCL-450

Collection D4 : TTD
Chemical Name MCL-450 ( From PubChem : CHEMBL373984 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
732.95 g/mol 3 9 6.7697 False(2/4)
Structure
InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37?,39-,40?,41-,45+/m0/s1
InChIKey FYEXOHKTNZXZQH-PDAWRCAUSA-N
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Gene (3 / 3)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorOPRD1Successful target
TTDInhibitorOPRK1Successful target
TTDInhibitorOPRM1Successful target
Download gene sets gmt, text, Detailed text
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University of Colorado School of Medicine
Aurora, CO 80045, USA

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