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Gene Set: D4 : TTD - Monastrol

Collection D4 : TTD
Chemical Name Monastrol ( From PubChem : MONASTROL )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
292.353 g/mol 3 6 2.4057 True
Structure
InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKey LOBCDGHHHHGHFA-LBPRGKRZSA-N
Links

Gene (5 / 12)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorKIF11Clinical trial target
PubChem PotencyuM1.122ALDH1A1-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM25.119CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM1.000CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
ChEMBLPotencynM1122.000ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM25118.900CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM25118.900CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM1000.000CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM1000.000CYP3A4
-Target : CHEMBL340
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