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Gene Set: D4 : TTD - MK-886


Collection D4 : TTD
Chemical Name MK-886 ( From PubChem : 3-[3-BUTYLSULFANYL-1-[(4-CHLOROPHENYL)METHYL]-5-PROPAN-2-YLINDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
472.082 g/mol 1 4 8.0119 False(3/4)
Structure
InChI InChI=1S/C27H34ClNO2S/c1-6-7-14-32-25-22-15-20(18(2)3)10-13-23(22)29(17-19-8-11-21(28)12-9-19)24(25)16-27(4,5)26(30)31/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H,30,31)
InChIKey VFMGWQLOCZBFCK-UHFFFAOYSA-N
Links

Gene (44 / 85)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
TTDInhibitorALOX5Successful target
TTDInhibitorALOX5APClinical trial target
TTDInhibitorPTGS2Successful target
PubChem PotencyuM12.589ALOX15-GI(Protien) :
PubChem PotencyuM50.119BAZ2B-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMDRD1-GI(Protien) :
PubChem PotencyuM11.220KAT2A-GI(Protien) :
PubChem NoneuMKCNH2-GI(Protien) :
PubChem NoneuMKCNQ1-GI(Protien) :
PubChem NoneuMMCL1-GI(Protien) :
PubChem NoneuMMCL1-GI(Protien) :
PubChem NoneuMMRGPRX1-GI(Protien) :
PubChem EC50uMNOD1-GI(Protien) :
PubChem PotencyuM50.119POLB-GI(Protien) :
PubChem NoneuMRGS4-GI(Protien) :
PubChem IC50uMSAE1-GI(Protien) :
PubChem NoneuMSLC12A5-GI(Protien) :
PubChem IC50uMUBA2-GI(Protien) :
PubChem IC50uMUBE2I-GI(Protien) :
PubChem PotencyuM25.119USP1-GI(Protien) :
PubChem PotencyuM66.312USP1-GI(Protien) :
PubChem NoneuMATG4B-GI(Protien) :
PubChem PotencyuM28.184BLM-GI(Protien) :
PubChem PotencyuM28.184BLM-GI(Protien) :
PubChem NoneuMCFTR-GI(Protien) :
PubChem NoneuMCFTR-GI(Protien) :
PubChem NoneuMCRHBP-GI(Protien) :
PubChem NoneuMCRHR2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM6.310CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM19.953CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem NoneuMDRD1-GI(Protien) :
PubChem NoneuMDRD2-GI(Protien) :
PubChem IC50uM8.480FASN-GI(Protien) :
PubChem IC50uM10.100FASN-GI(Protien) :
PubChem NoneuMFASN-GI(Protien) :
PubChem NoneuMFASN-GI(Protien) :
PubChem PotencyuM2.818GLP1R-GI(Protien) :
PubChem PotencyuM2.909GMNN-GI(Protien) :
PubChem PotencyuM10.000GMNN-GI(Protien) :
PubChem PotencyuM12.995IDH1-GI(Protien) :
PubChem NoneuMMC4R-GI(Protien) :
PubChem NoneuMPLA2G1B-GI(Protien) :
PubChem PotencyuM16.834PLK1-GI(Protien) :
PubChem PotencyuM31.623POLB-GI(Protien) :
PubChem PotencyuM25.119POLH-GI(Protien) :
PubChem PotencyuM35.481POLH-GI(Protien) :
PubChem PotencyuM28.184POLI-GI(Protien) :
PubChem PotencyuM79.433POLK-GI(Protien) :
PubChem PotencyuM10.000SMAD3-GI(Protien) :
PubChem PotencyuM6.561USP2-GI(Protien) :
PubChem PotencyuM7.080USP2-GI(Protien) :
PubChem PotencyuM50.119WRN-GI(Protien) :
PubChem PotencyuM12.589KAT2A-GI(Protien) :
PubChem PotencyuM28.184KAT2A-GI(Protien) :
PubChem PotencyuM29.935POLK-GI(Protien) :
PubChem PotencyuM41.840USP1-GI(Protien) :
PubChem PotencyuM50.119USP1-GI(Protien) :
ChEMBLPotencynM12589.300ALOX15
-Target : CHEMBL2903
ChEMBLPotencynM50118.700BAZ2B
-Target : CHEMBL1741220
ChEMBLPotencynM3981.100HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM12589.300KAT2A
-Target : CHEMBL5501
ChEMBLPotencynM11220.200KAT2A
-Target : CHEMBL5501
ChEMBLPotencynM28183.800KAT2A
-Target : CHEMBL5501
ChEMBLPotencynM50118.700POLB
-Target : CHEMBL2392
ChEMBLInhibition-PTGES
-Target : CHEMBL5658
ChEMBLInhibition-PTGES
-Target : CHEMBL5658
ChEMBLInhibition-PTGES
-Target : CHEMBL5658
ChEMBLPotencynM39810.700APEX1
-Target : CHEMBL5619
ChEMBLPotencynM28183.800BLM
-Target : CHEMBL1293237
ChEMBLPotencynM28183.800BLM
-Target : CHEMBL1293237
ChEMBLAC50nM25118.900CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM6309.570CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM6309.600CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM19952.600CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM19952.600CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM10000.000GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM10000.000HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM31622.800POLB
-Target : CHEMBL2392
ChEMBLPotencynM6561.400USP2
-Target : CHEMBL1293227
ChEMBLPotencynM7079.500USP2
-Target : CHEMBL1293227
Download gene sets gmt, text, Detailed text
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12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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