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Gene Set: D4 : CTD - octocrylene

Collection D4 : CTD
Chemical Name octocrylene ( From PubChem : 2-ETHYLHEXYL 2-CYANO-3,3-DIPHENYLACRYLATE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
361.477 g/mol 0 3 5.77168 False(3/4)
Structure
InChI InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3/t19-/m1/s1
InChIKey FMJSMJQBSVNSBF-LJQANCHMSA-N
Links

Gene (11 / 14)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDaffects(binding)ESR1
C088673
CTDincreases(activity)ESR1
C088673
CTDaffects(binding)ESR2
C088673
CTDincreases(activity)ESR2
C088673
PubChem NoneuMAPAF1-GI(Protien) :
PubChem Ratio Potency (uM)uM21.878AR-GI(Protien) :
PubChem PotencyuM44.668AR-GI(Protien) :
PubChem NoneuMCYP19A1-GI(Protien) :
PubChem NoneuMDRD3-GI(Protien) :
PubChem NoneuMMAPT-GI(Protien) :
PubChem Ratio Potency (uM)uM54.483NFE2L2-GI(Protien) :
PubChem NoneuMNR1H4-GI(Protien) :
PubChem Potency-Replicate_1uM2.818NR1I2-GI(Protien) :
PubChem PotencyuM18.356TDP1-GI(Protien) :
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