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Gene Set: D4 : TTD - 3-IB-MECA

Collection D4 : TTD
Chemical Name 3-IB-MECA ( From PubChem : IB-MECA )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
510.286 g/mol 4 10 0.8721 False(3/4)
Structure
InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N
Links

Gene (6 / 11)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDAgonistADORA3Successful target
TTDAgonistADORA3Successful target
PubChem NoneuMGFER-GI(Protien) :
PubChem NoneuMMRGPRX1-GI(Protien) :
PubChem PotencyuM15.849RXFP1-GI(Protien) :
PubChem IC50uM1.826SLC5A7-GI(Protien) :
PubChem IC50uM2.375SLC5A7-GI(Protien) :
PubChem NoneuMSLC5A7-GI(Protien) :
PubChem NoneuMSLC5A7-GI(Protien) :
PubChem NoneuMSLC5A7-GI(Protien) :
PubChem PotencyuM15.962TDP1-GI(Protien) :
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