Detailed information for compound 1192879
Basic information
Technical information
- TDR Targets ID: 1192879
- Name: 5-(morpholine-4-carbonyl)pyran-2-one
- MW: 209.199 | Formula: C10H11NO4
-
H donors: 0
H acceptors: 2
LogP: -0.41
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: O=c1ccc(co1)C(=O)N1CCOCC1
- InChi: 1S/C10H11NO4/c12-9-2-1-8(7-15-9)10(13)11-3-5-14-6-4-11/h1-2,7H,3-6H2
- InChiKey: YNKJZULRDBGWPX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 5-(morpholino-oxomethyl)-2-pyranone
- 5-morpholin-4-ylcarbonylpyran-2-one
- MLS000078341
- SMR000040314
- ZINC00507224
- STOCK2S-09336
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Trypanosoma brucei | phosphoglycerate kinase | Starlite/ChEMBL | No references |
| Homo sapiens | l(3)mbt-like 1 (Drosophila) | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Trypanosoma brucei gambiense | phosphoglycerate kinase, putative | No references | |
| Homo sapiens | Bloom syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | DNA (cytosine-5-)-methyltransferase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed), beta | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glutaminase | Starlite/ChEMBL | No references |
| Homo sapiens | protein tyrosine phosphatase, non-receptor type 7 | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
| Homo sapiens | Werner syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed) iota | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5404 | 0.548 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0181 | 0.0285 |
| Trypanosoma cruzi | mitochondrial DNA polymerase beta-PAK, putative | 0.0062 | 0.1323 | 0.1163 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0047 | 0.0867 | 0.0781 |
| Toxoplasma gondii | DNA methyltransferase 2, putative | 0.0024 | 0.0214 | 0.0068 |
| Echinococcus granulosus | muscleblind protein | 0.0147 | 0.3763 | 0.4049 |
| Brugia malayi | Phosphoglycerate kinase | 0.0075 | 0.1695 | 0.1718 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.0809 | 0.0871 |
| Trypanosoma cruzi | PAS-domain containing phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Echinococcus granulosus | phosphoglycerate kinase 1 | 0.0206 | 0.543 | 0.593 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Giardia lamblia | Phosphoglycerate kinase | 0.0206 | 0.543 | 1 |
| Trypanosoma cruzi | 3-phosphoglycerate kinase, glycosomal | 0.0075 | 0.1695 | 0.1542 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0809 | 0.064 |
| Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.9007 | 1 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Brugia malayi | hypothetical protein | 0.0233 | 0.6232 | 0.6857 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0181 | 0.0171 |
| Brugia malayi | mbt repeat family protein | 0.0058 | 0.1183 | 0.1138 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0192 | 0.5044 | 0.929 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0047 | 0.0867 | 0.0778 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0023 | 0.0181 | 0.0171 |
| Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0029 | 0.0369 | 0.0191 |
| Brugia malayi | TAR-binding protein | 0.0062 | 0.1311 | 0.1283 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0023 | 0.0196 | 0.002 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0809 | 0.0662 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0809 | 0.1197 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0062 | 0.1311 | 0.1429 |
| Loa Loa (eye worm) | hypothetical protein | 0.0077 | 0.175 | 0.1919 |
| Toxoplasma gondii | C-5 cytosine-specific DNA methylase superfamily protein | 0.0024 | 0.0214 | 0.0068 |
| Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.092 | 0.0994 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 0.1311 | 0.1188 |
| Schistosoma mansoni | phosphoglycerate kinase | 0.0206 | 0.543 | 0.5507 |
| Schistosoma mansoni | DNA polymerase eta | 0.0077 | 0.175 | 0.1649 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0196 | 0.0188 |
| Brugia malayi | C2-HC type zinc finger protein C.e-MyT1 | 0.0066 | 0.1412 | 0.1397 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0055 | 0.1101 | 0.1042 |
| Trichomonas vaginalis | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 0.5947 |
| Brugia malayi | CXXC zinc finger family protein | 0.004 | 0.0691 | 0.0581 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 0.1311 | 0.1188 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0047 | 0.0867 | 0.0699 |
| Trypanosoma brucei | phosphoglycerate kinase | 0.0206 | 0.543 | 0.5345 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0196 | 0.0188 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0023 | 0.0178 | 0.0168 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0023 | 0.0196 | 0.0361 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Echinococcus multilocularis | tumor protein p63 | 0.0331 | 0.9034 | 1 |
| Trypanosoma brucei | unspecified product | 0.0032 | 0.0452 | 0.0276 |
| Mycobacterium ulcerans | long-chain fatty-acid CoA ligase | 0.0023 | 0.0196 | 0.0188 |
| Echinococcus granulosus | disco interacting protein 2 | 0.0047 | 0.0892 | 0.0806 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0023 | 0.0196 | 0.0015 |
| Leishmania major | DNA polymerase eta, putative | 0.0077 | 0.175 | 0.1598 |
| Onchocerca volvulus | Polycomb protein Sfmbt homolog | 0.0058 | 0.1183 | 1 |
| Toxoplasma gondii | phosphoglycerate kinase PGKI | 0.0206 | 0.543 | 1 |
| Trypanosoma brucei | unspecified product | 0.0032 | 0.0452 | 0.0276 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 0.1311 | 0.1188 |
| Loa Loa (eye worm) | glutaminase | 0.033 | 0.9007 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0181 | 0.0003 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0233 | 0.6232 | 0.6837 |
| Trichomonas vaginalis | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 0.5947 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0023 | 0.0196 | 0.0015 |
| Leishmania major | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Echinococcus multilocularis | suppression of tumorigenicity 18 protein | 0.0066 | 0.1412 | 0.1393 |
| Loa Loa (eye worm) | hypothetical protein | 0.0166 | 0.4308 | 0.4768 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0809 | 0.064 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0178 | 0.0168 |
| Mycobacterium ulcerans | hypothetical protein | 0.0023 | 0.0196 | 0.0188 |
| Plasmodium falciparum | phosphoglycerate kinase | 0.0206 | 0.543 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0062 | 0.1311 | 0.1279 |
| Echinococcus granulosus | dna polymerase eta | 0.0077 | 0.175 | 0.1776 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0077 | 0.175 | 0.1598 |
| Echinococcus multilocularis | geminin | 0.0205 | 0.5404 | 0.5901 |
| Mycobacterium tuberculosis | Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) | 0.0017 | 0.0027 | 0.005 |
| Trypanosoma cruzi | PAS-domain containing phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Loa Loa (eye worm) | MBCTL1 | 0.0066 | 0.1412 | 0.1542 |
| Trypanosoma brucei | phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0045 | 0.0827 | 0.1237 |
| Echinococcus granulosus | endonuclease exonuclease phosphatase | 0.0232 | 0.6178 | 0.6775 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0047 | 0.0867 | 0.0777 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0809 | 0.0713 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0809 | 0.0715 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0181 | 0.0003 |
| Mycobacterium leprae | Probable phosphoglycerate kinase Pgk | 0.0206 | 0.543 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0147 | 0.3763 | 0.4161 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0047 | 0.0867 | 0.0777 |
| Trypanosoma brucei | phosphoglycerate kinase | 0.0075 | 0.1695 | 0.1542 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Loa Loa (eye worm) | hypothetical protein | 0.0233 | 0.6232 | 0.691 |
| Trypanosoma brucei | mitochondrial DNA polymerase beta-PAK | 0.0173 | 0.4485 | 0.4383 |
| Plasmodium falciparum | DNA (cytosine-5)-methyltransferase | 0.0024 | 0.0214 | 0.0345 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0055 | 0.1101 | 0.1042 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0055 | 0.1101 | 0.1042 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0181 | 0.0003 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0181 | 0.0006 |
| Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0023 | 0.0196 | 0.0188 |
| Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0023 | 0.0178 | 0.0279 |
| Giardia lamblia | DINP protein human, muc B family | 0.0047 | 0.0867 | 0.1312 |
| Onchocerca volvulus | 0.0048 | 0.092 | 0.7339 | |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0043 | 0.077 | 0.0621 |
| Schistosoma mansoni | cpg binding protein | 0.004 | 0.0691 | 0.0538 |
| Loa Loa (eye worm) | hypothetical protein | 0.0206 | 0.543 | 0.6016 |
| Trypanosoma brucei | phosphoglycerate kinase | 0.0206 | 0.543 | 0.5345 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Echinococcus granulosus | histone acetyltransferase MYST2 | 0.0066 | 0.1412 | 0.1393 |
| Echinococcus granulosus | DNA methyltransferase 2, putative | 0.0024 | 0.0214 | 0.004 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.0809 | 0.0712 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Entamoeba histolytica | DNA (cytosine-5)-methyltransferase, putative | 0.0024 | 0.0214 | 0.0062 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.0147 | 0.3763 | 0.4049 |
| Loa Loa (eye worm) | RecQ helicase | 0.0055 | 0.1101 | 0.1196 |
| Entamoeba histolytica | acyl-coA synthetase, putative | 0.0023 | 0.0196 | 0.0028 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0023 | 0.0196 | 0.0015 |
| Trypanosoma cruzi | mitochondrial DNA polymerase beta, putative | 0.0365 | 1 | 1 |
| Echinococcus multilocularis | polycomb protein SCMH1 | 0.0058 | 0.1183 | 0.1135 |
| Treponema pallidum | phosphoglycerate kinase | 0.0206 | 0.543 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0023 | 0.0196 | 0.0028 |
| Leishmania major | DNA polymerase eta, putative | 0.0045 | 0.0827 | 0.0658 |
| Toxoplasma gondii | exonuclease III APE | 0.0023 | 0.0181 | 0.0006 |
| Toxoplasma gondii | hypothetical protein | 0.0102 | 0.2463 | 0.4351 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0045 | 0.0827 | 0.0658 |
| Echinococcus multilocularis | histone acetyltransferase MYST2 | 0.0066 | 0.1412 | 0.1393 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0047 | 0.0867 | 0.1307 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0675 | 0.0916 |
| Echinococcus granulosus | polycomb protein SCMH1 | 0.0058 | 0.1183 | 0.1135 |
| Trypanosoma cruzi | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 0.5345 |
| Echinococcus multilocularis | disco interacting protein 2 | 0.0047 | 0.0892 | 0.0806 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0809 | 0.0871 |
| Chlamydia trachomatis | phosphoglycerate kinase | 0.0206 | 0.543 | 1 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0029 | 0.0369 | 0.0213 |
| Loa Loa (eye worm) | hypothetical protein | 0.0147 | 0.3763 | 0.4161 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0047 | 0.0867 | 0.0723 |
| Schistosoma mansoni | DNA (cytosine-5)-methyltransferase | 0.0024 | 0.0214 | 0.0038 |
| Mycobacterium ulcerans | hypothetical protein | 0.0192 | 0.5044 | 0.5587 |
| Echinococcus granulosus | cpg binding protein | 0.004 | 0.0691 | 0.0579 |
| Echinococcus multilocularis | dna polymerase eta | 0.0077 | 0.175 | 0.1776 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Schistosoma mansoni | hypothetical protein | 0.0048 | 0.0896 | 0.0753 |
| Mycobacterium tuberculosis | Probable phosphoglycerate kinase Pgk | 0.0206 | 0.543 | 1 |
| Mycobacterium ulcerans | glutaminase | 0.033 | 0.9007 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.0864 | 0.0932 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0809 | 0.0712 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0047 | 0.0867 | 0.0935 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0077 | 0.175 | 0.1781 |
| Plasmodium vivax | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 1 |
| Trypanosoma cruzi | mitochondrial DNA polymerase beta-PAK, putative | 0.0051 | 0.1001 | 0.0835 |
| Schistosoma mansoni | hypothetical protein | 0.0355 | 0.9714 | 1 |
| Trypanosoma cruzi | phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0047 | 0.0867 | 0.0699 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0809 | 0.1203 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0047 | 0.0867 | 0.0699 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0809 | 0.0662 |
| Mycobacterium tuberculosis | Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) | 0.0023 | 0.0196 | 0.0361 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0023 | 0.0196 | 0.002 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0181 | 0.0003 |
| Loa Loa (eye worm) | CXXC zinc finger family protein | 0.004 | 0.0691 | 0.0739 |
| Trypanosoma brucei | unspecified product | 0.0047 | 0.0867 | 0.0699 |
| Schistosoma mansoni | phosphoglycerate kinase | 0.0206 | 0.543 | 0.5507 |
| Trypanosoma cruzi | mitochondrial DNA polymerase beta-PAK, putative | 0.0173 | 0.4485 | 0.4383 |
| Wolbachia endosymbiont of Brugia malayi | phosphoglycerate kinase | 0.0206 | 0.543 | 1 |
| Echinococcus granulosus | geminin | 0.0205 | 0.5404 | 0.5901 |
| Loa Loa (eye worm) | hypothetical protein | 0.0066 | 0.1412 | 0.1542 |
| Trypanosoma cruzi | DNA polymerase beta thumb, putative | 0.0051 | 0.1001 | 0.0835 |
| Trypanosoma cruzi | DNA polymerase beta thumb, putative | 0.0051 | 0.1001 | 0.0835 |
| Schistosoma mansoni | scm-relatedprotein containing 4 mbt domains (sfmbt) | 0.0058 | 0.1183 | 0.1054 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0809 | 0.0712 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0023 | 0.0178 | 0.00000000056277 |
| Brugia malayi | Disco-interacting protein 2 homolog | 0.0047 | 0.0864 | 0.0778 |
| Leishmania major | phosphoglycerate kinase C, glycosomal | 0.0206 | 0.543 | 0.5345 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0062 | 0.1311 | 0.1429 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0029 | 0.0369 | 0.0358 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0029 | 0.0369 | 0.0191 |
| Schistosoma mansoni | sex comb on midleg homolog | 0.0058 | 0.1183 | 0.1054 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0048 | 0.0896 | 0.0814 |
| Loa Loa (eye worm) | mbt repeat family protein | 0.0058 | 0.1183 | 0.1287 |
| Schistosoma mansoni | myelin transcription factor 1 myt1 | 0.0066 | 0.1412 | 0.1294 |
| Echinococcus multilocularis | DNA methyltransferase 2, putative | 0.0024 | 0.0214 | 0.004 |
| Leishmania major | modification methylase-like protein | 0.0024 | 0.0214 | 0.0033 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0196 | 0.0188 |
| Mycobacterium ulcerans | phosphoglycerate kinase | 0.0206 | 0.543 | 0.6016 |
| Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0023 | 0.0196 | 0.0188 |
| Leishmania major | PAS-domain containing phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Trypanosoma brucei | DNA polymerase beta thumb, putative | 0.0051 | 0.1001 | 0.0835 |
| Schistosoma mansoni | disco-interacting protein 2 (dip2) | 0.0047 | 0.0892 | 0.0748 |
| Echinococcus multilocularis | phosphoglycerate kinase 1 | 0.0206 | 0.543 | 0.593 |
| Leishmania major | mitochondrial DNA polymerase beta-PAK, putative | 0.0173 | 0.4485 | 0.4383 |
| Brugia malayi | Phosphoglycerate kinase | 0.0206 | 0.543 | 0.5949 |
| Schistosoma mansoni | survival motor neuron protein | 0.0048 | 0.0896 | 0.0753 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0809 | 0.064 |
| Echinococcus granulosus | bloom syndrome protein | 0.0055 | 0.1101 | 0.1042 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0196 | 0.0188 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0047 | 0.0867 | 0.0935 |
| Toxoplasma gondii | hypothetical protein | 0.0059 | 0.1218 | 0.198 |
| Trypanosoma cruzi | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 0.5345 |
| Onchocerca volvulus | 0.0047 | 0.0864 | 0.6775 | |
| Trypanosoma cruzi | phosphoglycerate kinase, putative | 0.0075 | 0.1695 | 0.1542 |
| Trichomonas vaginalis | glutaminase, putative | 0.033 | 0.9007 | 1 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0196 | 0.0188 |
| Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0029 | 0.0369 | 0.0191 |
| Trypanosoma brucei | cytosine-specific DNA methylase, putative | 0.0024 | 0.0214 | 0.0033 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0077 | 0.175 | 0.1598 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0809 | 0.064 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0037 | 0.0592 | 0.1045 |
| Echinococcus multilocularis | endonuclease exonuclease phosphatase | 0.0232 | 0.6178 | 0.6775 |
| Schistosoma mansoni | sex comb on midleg homolog | 0.0058 | 0.1183 | 0.1054 |
| Onchocerca volvulus | 0.0048 | 0.0896 | 0.7097 | |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0809 | 0.0713 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Loa Loa (eye worm) | hypothetical protein | 0.0058 | 0.1183 | 0.1287 |
| Brugia malayi | mbt repeat family protein | 0.0058 | 0.1183 | 0.1138 |
| Echinococcus multilocularis | muscleblind protein | 0.0147 | 0.3763 | 0.4049 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0047 | 0.0867 | 0.0935 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0181 | 0.0003 |
| Toxoplasma gondii | phosphoglycerate kinase PGKII | 0.0206 | 0.543 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0062 | 0.1311 | 0.1279 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0047 | 0.0867 | 0.0723 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0675 | 0.1244 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0196 | 0.0188 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0047 | 0.0867 | 0.0699 |
| Mycobacterium ulcerans | long-chain-fatty-acid-CoA ligase | 0.0023 | 0.0196 | 0.0188 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0809 | 0.1197 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0023 | 0.0181 | 0.0333 |
| Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0023 | 0.0196 | 0.0028 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0181 | 0.0285 |
| Echinococcus granulosus | suppression of tumorigenicity 18 protein | 0.0066 | 0.1412 | 0.1393 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5404 | 0.548 |
| Echinococcus granulosus | tumor protein p63 | 0.0331 | 0.9034 | 1 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Onchocerca volvulus | 0.0058 | 0.1183 | 1 | |
| Echinococcus granulosus | dna polymerase kappa | 0.0047 | 0.0867 | 0.0778 |
| Schistosoma mansoni | cpg binding protein | 0.004 | 0.0691 | 0.0538 |
| Brugia malayi | Muscleblind-like protein | 0.0147 | 0.3763 | 0.4061 |
| Echinococcus granulosus | SAM and MBT domain containing protein | 0.0058 | 0.1183 | 0.1135 |
| Brugia malayi | glutaminase DH11.1 | 0.033 | 0.9007 | 1 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0233 | 0.6232 | 0.6837 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0023 | 0.0196 | 0.002 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 0.1311 | 0.1188 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0102 | 0.2463 | 0.4508 |
| Schistosoma mansoni | cellular tumor antigen P53 | 0.0048 | 0.092 | 0.0778 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0048 | 0.091 | 0.1634 |
| Brugia malayi | RNA binding protein | 0.0062 | 0.1311 | 0.1283 |
| Onchocerca volvulus | 0.004 | 0.0691 | 0.5013 | |
| Trypanosoma brucei | mitochondrial DNA polymerase beta | 0.0365 | 1 | 1 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0055 | 0.1101 | 0.1046 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0062 | 0.1311 | 0.1283 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0047 | 0.0867 | 0.1597 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0032 | 0.0452 | 0.0276 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0047 | 0.0867 | 0.0778 |
| Plasmodium vivax | DNA (cytosine-5)-methyltransferase, putative | 0.0024 | 0.0214 | 0.0345 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0047 | 0.0867 | 0.1597 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0032 | 0.0452 | 0.0276 |
| Loa Loa (eye worm) | RNA binding protein | 0.0062 | 0.1311 | 0.1429 |
| Trypanosoma cruzi | mitochondrial DNA polymerase beta, putative | 0.0365 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 0.1311 | 0.1188 |
| Echinococcus multilocularis | SAM and MBT domain containing protein | 0.0058 | 0.1183 | 0.1135 |
| Entamoeba histolytica | phosphoglycerate kinase, putative | 0.0206 | 0.543 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0047 | 0.0867 | 0.0699 |
| Schistosoma mansoni | cpg binding protein | 0.004 | 0.0691 | 0.0538 |
| Schistosoma mansoni | glutaminase | 0.033 | 0.9007 | 0.9258 |
| Leishmania major | phosphoglycerate kinase B, cytosolic | 0.0206 | 0.543 | 0.5345 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0047 | 0.0867 | 0.0778 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0037 | 0.0579 | 0.0764 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0032 | 0.0452 | 0.0276 |
| Echinococcus multilocularis | cpg binding protein | 0.004 | 0.0691 | 0.0579 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = 0.99 um | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Target. Inhibition of phosphatase activity by colorimetric assay of released free phosphate (BioMol green). Secondary Screen (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | = 3.67 uM | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.7079 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 1.7783 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 3.0402 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: BLM Helicase Counterscreen for WRN Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 4.1052 uM | PubChem BioAssay. qHTS for inhibitors of Phosphogylcerate Kinase: Hit Validation Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.4063 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase: Confirmatory Assay for Cherry-picked Compounds.. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.5131 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1358848
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.