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Gene Set: D4 : TTD - MCL-445


Collection D4 : TTD
Chemical Name MCL-445 ( From PubChem : CHEMBL243195 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
367.528 g/mol 2 4 4.6982 True
Structure
InChI InChI=1S/C23H33N3O/c1-24-22(27)25-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-26(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H2,24,25,27)/t19-,21+,23+/m0/s1
InChIKey URMRSPJBIISGIL-XKCSPQBFSA-N
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Gene (3 / 3)


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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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