Showing entry for Tryptanthrin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027259
Compound NameTryptanthrin
Structure
FormulaC15H8N2O2
InchiKeyVQQVWGVXDIPORV-UHFFFAOYSA-N
SMILESO=C1c2nc3ccccc3c(=O)n2c2c1cccc2
InchiInChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
IUPACindolo[2,1-b]quinazoline-6,12-dione
Molecular Weight248.06
Pubchem Id73549
Chembl IdCHEMBL306946
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 50240612
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 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed IDO2 - 17300 - -
reviewed BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed IDO2 - 5000 - -
reviewed BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed IDO2 15200 - - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 64 - -
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 150 - -
reviewed BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - 54 - -
reviewed BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - 7150 - -
reviewed BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 4810 - - -
CHEMBL CHEMBL306946
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
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 3162 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 1635 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 6294 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -2 %
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 3162 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 7062 nM
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 150 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 517 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 64 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 10000 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1299 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 11220 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 35 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 9 %
Q6ZQW0 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed - IDO2 Ratio IC50 '=' 29 -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
Q6ZQW0 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed - IDO2 Ki '=' 15200 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 5173 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 1122 nM
O61059 BXGT004913 Glucose transporter unreviewed - LmGT2 Inhibition '=' -3 %
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 354 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1158 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 21331 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 6513 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 2818 nM
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 Inhibition - - -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 3548 nM
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 7150 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 643 nM
Q6ZQW0 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed - IDO2 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 461 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 7924 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 12 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 891 nM
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A Inhibition '=' 4 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 1078 nM
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 53 nM
Q8IL88 BXGT018311 HSP40, subfamily A, putative unreviewed - PF3D7_1437900 AbsAC1000_uM '=' 1 uM
Q6ZQW0 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed - IDO2 IC50 '=' 17300 nM
O97467 BXGT005437 Hexose transporter 1 unreviewed - ht1 Inhibition '=' -2 %
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '>' 380000 nM
P11166 BXGT007661 Solute carrier family 2, facilitated glucose transporter member 1 reviewed Transporter SLC2A1 Inhibition '=' -2 %
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 Ki '=' 4810 nM
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 498700 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 1412 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 25 %
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 200000 nM
Q6ZQW0 BXGT016635 Indoleamine 2,3-dioxygenase 2 reviewed - IDO2 IC50 '=' 5000 nM
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 Inhibition '>' 30 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF01353 Viburnum orientale Viburnum orientale Others
BXGF02016 Remijia bicolorata Remijia bicolorata Others
BXGF02433 Cotoneaster simonsii Cotoneaster simonsii Others
BXGF02527 Nicotiana tabacum Nicotiana tabacum Medicinal Plant
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05227 Phaius mishmensis Phaius mishmensis Others
BXGF05297 Isatis tinctoria Isatis tinctoria Medicinal Plant
BXGF05301 Baphicacanthus cusia Baphicacanthus cusia Medicinal Plant
BXGF06143 Persicaria tinctoria Persicaria tinctoria Medicinal Plant
BXGF06235 Agathosma mundtii Agathosma mundtii 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