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Gene Set: D4 : TTD - HESPERIDINE


Collection D4 : TTD
Chemical Name HESPERIDINE ( From PubChem : HESPERIDIN )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotApprovedNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
610.561 g/mol 8 15 -1.1566 False(1/4)
Structure
InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey QUQPHWDTPGMPEX-QJBIFVCTSA-N
Links

Gene (6 / 12)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCACNA1BSuccessful target
PubChem NoneuMADRBK1-GI(Protien) :
PubChem PotencyuM50.119BAZ2B-GI(Protien) :
PubChem IC50uM9.500CACNA1B-GI(Protien) :
PubChem IC50uM20.733CTDSP1-GI(Protien) :
PubChem NoneuMCTDSP1-GI(Protien) :
PubChem NoneuMCTDSP1-GI(Protien) :
ChEMBLIC50nM9500.000APBA1
-Target : CHEMBL2097170
ChEMBLPotencynM50118.700BAZ2B
-Target : CHEMBL1741220
ChEMBLIC50nM9500.000CACNA1B
-Target : CHEMBL2097170
ChEMBLActivity-HPSE
-Target : CHEMBL3921
ChEMBLActivity-HPSE
-Target : CHEMBL3921
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