Showing entry for Triptolide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040155
Compound NameTriptolide
Structure
FormulaC20H24O6
InchiKeyDFBIRQPKNDILPW-CIVMWXNOSA-N
SMILESO=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C
InchiInChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
IUPAC
Molecular Weight360.16
Pubchem Id107985
Chembl IdCHEMBL463763
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50241049
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT020489 dCTP pyrophosphatase 1 reviewed DCTPP1 168000 - - -
reviewed BXGT020489 dCTP pyrophosphatase 1 reviewed DCTPP1 - 30900 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 40 - -
reviewed BXGT011104 Proteinase-activated receptor 2 reviewed G-protein coupled receptor F2RL1 - 23 - -
reviewed BXGT011104 Proteinase-activated receptor 2 reviewed G-protein coupled receptor F2RL1 - 14 - -
CHEMBL CHEMBL463763
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 28183 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 152 nM
Q00613 BXGT012540 Heat shock factor protein 1 reviewed Transcription factor HSF1 Activity '=' 40 %
Q9H773 BXGT020489 dCTP pyrophosphatase 1 reviewed - DCTPP1 IC50 '=' 30900 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 89 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 40 nM
Q00613 BXGT012540 Heat shock factor protein 1 reviewed Transcription factor HSF1 Activity '=' 35 %
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 89 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 398 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 316 nM
P55085 BXGT011104 Proteinase-activated receptor 2 reviewed G-protein coupled receptor F2RL1 IC50 '=' 14 nM
P55085 BXGT011104 Proteinase-activated receptor 2 reviewed G-protein coupled receptor F2RL1 IC50 '=' 23 nM
Q00613 BXGT012540 Heat shock factor protein 1 reviewed Transcription factor HSF1 Activity '=' 45 %
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Inhibition - - -
P09487 BXGT006898 Alkaline phosphatase, tissue-nonspecific isozyme reviewed - ALPL Drug metabolism - - -
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1000 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 121 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01167 Tripterygium hypoglaucum Tripterygium hypoglaucum Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease