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Gene Set: D4 : TTD - Cinalukast


Collection D4 : TTD
Chemical Name Cinalukast ( From PubChem : CINALUKAST )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
412.545 g/mol 2 6 5.8736 False(3/4)
Structure
InChI InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
InChIKey BZMKNPGKXJAIDV-VAWYXSNFSA-N
Links

Gene (6 / 10)


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Source Type Unit Value Gene PMID Assay Other
TTDAntagonistCYSLTR1Successful target
TTDDrug(s)CYSLTR1Successful target
PubChem AhR Potency (uM)uM8.096AHR-GI(Protien) :
PubChem Potency-Replicate_1uM8.413AHR-GI(Protien) :
PubChem PotencyuM6.310CYP3A4-GI(Protien) :
PubChem Ratio Potency (uM)uM23.708NFE2L2-GI(Protien) :
PubChem NoneuMPPARG-GI(Protien) :
ChEMBLPotencynM6309.600CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM12589.300HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM25118.900HSD17B10
-Target : CHEMBL4159
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