Detailed information for compound 172403
Basic information
Technical information
- TDR Targets ID: 172403
- Name: (E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en -1-one
- MW: 240.254 | Formula: C15H12O3
-
H donors: 2
H acceptors: 3
LogP: 3.53
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1
- InChi: 1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
- InChiKey: JUMSUVHHUVPSOY-RMKNXTFCSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (E)-1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one
- (E)-1-(2,4-dihydroxyphenyl)-3-phenyl-2-propen-1-one
- 2',4'-dihydroxychalcone
- 1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
- 1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one
- 25515-43-9
- 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-
- NSC401492
- CHALCONE, 2',4'-DIHYDROXY-
- ST5308968
- NCGC00096022-01
- 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-
- SPECTRUM1505132
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Homo sapiens | heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) | Starlite/ChEMBL | No references |
| Homo sapiens | arachidonate 15-lipoxygenase | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Aldose reductase | Starlite/ChEMBL | No references |
| Homo sapiens | hydroxyprostaglandin dehydrogenase 15-(NAD) | Starlite/ChEMBL | No references |
| Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
| Plasmodium falciparum | fructose-bisphosphate aldolase | Curated by TDR Targets | 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 |
|---|---|---|---|---|
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Brugia malayi | isocitrate dehydrogenase [NAD] subunit beta, mitochondrial | 0.0138 | 0.1119 | 0.1119 |
| Brugia malayi | isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial | 0.0138 | 0.1119 | 0.1119 |
| Leishmania major | heat shock protein, putative | 0.006 | 0.0428 | 0.0406 |
| Giardia lamblia | Grp94/Hsp90 | 0.0117 | 0.0935 | 0.7443 |
| Loa Loa (eye worm) | heat shock protein 90 | 0.0147 | 0.1201 | 0.1201 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0147 | 0.1201 | 1 |
| Schistosoma mansoni | loxhd1 | 0.0024 | 0.0103 | 0.0103 |
| Plasmodium vivax | DNA topoisomerase II, putative | 0.003 | 0.0158 | 0.0056 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.7297 | 0.7297 |
| Onchocerca volvulus | Putative DNA topoisomerase 2, mitochondrial | 0.003 | 0.0158 | 0.3696 |
| Brugia malayi | Cytochrome P450 family protein | 0.0015 | 0.0024 | 0.0024 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.1137 | 1 | 1 |
| Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.1137 | 1 | 1 |
| Trichomonas vaginalis | endoplasmin, putative | 0.009 | 0.0695 | 0.5145 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Entamoeba histolytica | 90 kDa heat shock protein, putative | 0.006 | 0.0428 | 0.2588 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 0.0866 | 0.0845 |
| Giardia lamblia | Heat shock protein HSP 90-alpha | 0.0117 | 0.0935 | 0.7443 |
| Trypanosoma brucei | developmentally regulated phosphoprotein | 0.003 | 0.0158 | 0.0135 |
| Brugia malayi | fructose-bisphosphate aldolase 2 | 0.011 | 0.0866 | 0.0866 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.0158 | 0.0158 |
| Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.003 | 0.0158 | 0.3696 |
| Echinococcus multilocularis | heat shock protein 90 | 0.0117 | 0.0935 | 0.0935 |
| Mycobacterium leprae | PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 | 0.003 | 0.0158 | 0.0256 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0024 | 0.0024 |
| Mycobacterium ulcerans | DNA gyrase subunit B | 0.003 | 0.0158 | 0.123 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus multilocularis | RUN | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus granulosus | heat shock protein heat shock protein 90 alpha | 0.0117 | 0.0935 | 0.0935 |
| Brugia malayi | Isocitrate dehydrogenase subunit gamma, mitochondrial precursor | 0.0138 | 0.1119 | 0.1119 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.0232 | 0.0232 |
| Onchocerca volvulus | Heat shock protein 75 kDa, mitochondrial homolog | 0.006 | 0.0428 | 1 |
| Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0067 | 0.0484 | 0.0484 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0067 | 0.0484 | 0.0484 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.0147 | 0.1201 | 0.1181 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0087 | 0.0665 | 0.0643 |
| Toxoplasma gondii | aldose reductase, putative | 0.0038 | 0.0232 | 0.0074 |
| Plasmodium falciparum | heat shock protein 90, putative | 0.006 | 0.0428 | 0.0328 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.0147 | 0.1201 | 1 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0038 | 0.0232 | 0.0208 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Trypanosoma brucei | Heat shock protein 83, putative | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.003 | 0.0158 | 0.0158 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 0.0866 | 0.072 |
| Trypanosoma brucei | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 0.0866 | 0.0845 |
| Echinococcus granulosus | heat shock protein | 0.0147 | 0.1201 | 0.1201 |
| Entamoeba histolytica | tartrate dehydrogenase, putative | 0.0138 | 0.1119 | 0.9214 |
| Schistosoma mansoni | rab6-interacting | 0.0024 | 0.0103 | 0.0103 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 0.0866 | 0.0845 |
| Plasmodium vivax | endoplasmin, putative | 0.0147 | 0.1201 | 0.111 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Trypanosoma brucei | heat shock protein 84, putative | 0.006 | 0.0428 | 0.0406 |
| Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.1137 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Trypanosoma cruzi | Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative | 0.003 | 0.0158 | 0.0135 |
| Schistosoma mansoni | endoplasmin | 0.0147 | 0.1201 | 0.1201 |
| Brugia malayi | Doublecortin family protein | 0.0024 | 0.0103 | 0.0103 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0117 | 0.0935 | 0.7443 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 0.0024 | 0.0024 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0024 | 0.0024 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.0147 | 0.1201 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Loa Loa (eye worm) | hypothetical protein | 0.0138 | 0.1119 | 0.1119 |
| Plasmodium vivax | heat shock protein 90, putative | 0.006 | 0.0428 | 0.0328 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Trypanosoma cruzi | developmentally regulated phosphoprotein, putative | 0.003 | 0.0158 | 0.0135 |
| Echinococcus granulosus | heat shock protein 90 | 0.0117 | 0.0935 | 0.0935 |
| Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.003 | 0.0158 | 0.0158 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Leishmania major | fructose-1,6-bisphosphate aldolase | 0.011 | 0.0866 | 0.0845 |
| Trypanosoma cruzi | DNA topoisomerase II, putative | 0.003 | 0.0158 | 0.0135 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.0232 | 0.0232 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus granulosus | isocitrate dehydrogenase NAD subunit | 0.0138 | 0.1119 | 0.1119 |
| Schistosoma mansoni | DNA topoisomerase II | 0.003 | 0.0158 | 0.0158 |
| Trypanosoma cruzi | heat shock protein, putative | 0.006 | 0.0428 | 0.0406 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus granulosus | heat shock protein 90 | 0.0147 | 0.1201 | 0.1201 |
| Mycobacterium ulcerans | two component regulator - sensor kinase | 0.003 | 0.0158 | 0.123 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Echinococcus multilocularis | heat shock protein | 0.0147 | 0.1201 | 0.1201 |
| Toxoplasma gondii | fructose-bisphosphate aldolase, putative | 0.011 | 0.0866 | 0.072 |
| Echinococcus granulosus | fructose bisphosphate aldolase class I | 0.011 | 0.0866 | 0.0866 |
| Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.1137 | 1 | 1 |
| Mycobacterium ulcerans | two component sensor kinase MprB | 0.003 | 0.0158 | 0.123 |
| Mycobacterium leprae | PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) | 0.0117 | 0.0935 | 0.8127 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0.0232 | 0.0702 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 0.0158 | 0.0135 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Brugia malayi | Endoplasmin precursor | 0.0147 | 0.1201 | 0.1201 |
| Mycobacterium tuberculosis | Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) | 0.0138 | 0.1119 | 0.0977 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.0232 | 0.0232 |
| Plasmodium falciparum | DNA topoisomerase VI, b subunit, putative | 0.003 | 0.0158 | 0.0056 |
| Echinococcus multilocularis | isocitrate dehydrogenase (NAD+) | 0.0138 | 0.1119 | 0.1119 |
| Trichomonas vaginalis | heat shock protein, putative | 0.006 | 0.0428 | 0.2588 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 0.0866 | 0.0845 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus granulosus | isocitrate dehydrogenase NAD | 0.0138 | 0.1119 | 0.1119 |
| Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.003 | 0.0158 | 0.0158 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.0158 | 0.0158 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0038 | 0.0232 | 0.0074 |
| Schistosoma mansoni | isocitrate dehydrogenase | 0.0138 | 0.1119 | 0.1119 |
| Brugia malayi | hypothetical protein | 0.0024 | 0.0103 | 0.0103 |
| Plasmodium falciparum | DNA topoisomerase 2 | 0.003 | 0.0158 | 0.0056 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.0232 | 0.0232 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Trypanosoma cruzi | Heat shock protein 83, putative | 0.0147 | 0.1201 | 0.1181 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Mycobacterium ulcerans | two component sensor histidine kinase DevS | 0.003 | 0.0158 | 0.123 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Plasmodium vivax | isocitrate dehydrogenase [NADP], mitochondrial, putative | 0.1137 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Trypanosoma brucei | DNA topoisomerase II alpha, putative | 0.003 | 0.0158 | 0.0135 |
| Brugia malayi | fructose-bisphosphate aldolase 1 | 0.011 | 0.0866 | 0.0866 |
| Wolbachia endosymbiont of Brugia malayi | isocitrate dehydrogenase | 0.0138 | 0.1119 | 1 |
| Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.003 | 0.0158 | 0.0158 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0117 | 0.0935 | 0.7443 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Giardia lamblia | Aldose reductase | 0.0038 | 0.0232 | 0.0702 |
| Echinococcus multilocularis | aldehyde reductase | 0.0027 | 0.0133 | 0.0133 |
| Trichomonas vaginalis | isocitrate dehydrogenase, putative | 0.0138 | 0.1119 | 0.9214 |
| Onchocerca volvulus | 0.0024 | 0.0103 | 0.2408 | |
| Brugia malayi | Probable isocitrate dehydrogenase | 0.0138 | 0.1119 | 0.1119 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Plasmodium vivax | fructose 1,6-bisphosphate aldolase, putative | 0.011 | 0.0866 | 0.0771 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0038 | 0.0232 | 0.0208 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Plasmodium falciparum | endoplasmin, putative | 0.009 | 0.0695 | 0.0598 |
| Mycobacterium leprae | Probable two component sensor kinase MprB | 0.003 | 0.0158 | 0.0256 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.003 | 0.0158 | 0.0135 |
| Schistosoma mansoni | lipoxygenase | 0.0067 | 0.0484 | 0.0484 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.0158 | 0.0158 |
| Plasmodium falciparum | heat shock protein 90 | 0.0147 | 0.1201 | 0.111 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Plasmodium vivax | heat shock protein, putative | 0.006 | 0.0428 | 0.0328 |
| Trypanosoma brucei | DNA topoisomerase ii | 0.003 | 0.0158 | 0.0135 |
| Echinococcus granulosus | endoplasmin | 0.0117 | 0.0935 | 0.0935 |
| Brugia malayi | Isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Treponema pallidum | heat shock protein 90 | 0.0117 | 0.0935 | 1 |
| Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.003 | 0.0158 | 0.0158 |
| Mycobacterium leprae | Probable two-component sensor kinase | 0.003 | 0.0158 | 0.0256 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Schistosoma mansoni | heat shock protein | 0.006 | 0.0428 | 0.0428 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0.0232 | 0.0702 |
| Plasmodium falciparum | fructose-bisphosphate aldolase | 0.011 | 0.0866 | 0.0771 |
| Brugia malayi | heat shock protein 90 | 0.0147 | 0.1201 | 0.1201 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.0103 | 0.0103 |
| Leishmania major | mitochondrial DNA topoisomerase II | 0.003 | 0.0158 | 0.0135 |
| Echinococcus multilocularis | Polycystic kidney disease protein | 0.0024 | 0.0103 | 0.0103 |
| Mycobacterium ulcerans | 3-isopropylmalate dehydrogenase | 0.0138 | 0.1119 | 1 |
| Brugia malayi | hypothetical protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0024 | 0.0103 | 0.0103 |
| Loa Loa (eye worm) | heat shock protein 75 | 0.006 | 0.0428 | 0.0428 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Loa Loa (eye worm) | TOPoisomerase family member | 0.003 | 0.0158 | 0.0158 |
| Toxoplasma gondii | heat shock protein 75, putative | 0.006 | 0.0428 | 0.0274 |
| Plasmodium falciparum | DNA gyrase subunit B | 0.003 | 0.0158 | 0.0056 |
| Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.003 | 0.0158 | 0.0158 |
| Echinococcus multilocularis | heat shock protein 75 kDa, mitochondrial | 0.006 | 0.0428 | 0.0428 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0232 | 0.0232 |
| Mycobacterium ulcerans | two component sensory transduction histidine kinase MtrB | 0.003 | 0.0158 | 0.123 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0024 | 0.0103 | 0.0103 |
| Schistosoma mansoni | rab6-interacting | 0.0024 | 0.0103 | 0.0103 |
| Schistosoma mansoni | unc-13 (munc13) | 0.0138 | 0.1119 | 0.1119 |
| Wolbachia endosymbiont of Brugia malayi | heat shock protein 90 | 0.0117 | 0.0935 | 0.8077 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Trypanosoma cruzi | DNA topoisomerase II, putative | 0.003 | 0.0158 | 0.0135 |
| Schistosoma mansoni | pol-related | 0.0038 | 0.0232 | 0.0232 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0038 | 0.0232 | 0.0208 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 0.0866 | 0.072 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Mycobacterium tuberculosis | Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) | 0.0117 | 0.0935 | 0.0789 |
| Leishmania major | DNA topoisomerase ii | 0.003 | 0.0158 | 0.0135 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Leishmania major | lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative | 0.0117 | 0.0935 | 0.0913 |
| Mycobacterium leprae | PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) | 0.0138 | 0.1119 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0038 | 0.0232 | 0.0208 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus granulosus | RUN | 0.0024 | 0.0103 | 0.0103 |
| Loa Loa (eye worm) | isocitrate dehydrogenase gamma subunit | 0.0138 | 0.1119 | 0.1119 |
| Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.1137 | 1 | 1 |
| Mycobacterium ulcerans | two component sensor histidine kinase TrcS | 0.003 | 0.0158 | 0.123 |
| Mycobacterium ulcerans | putative regultory protein | 0.003 | 0.0158 | 0.123 |
| Trypanosoma brucei | Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative | 0.003 | 0.0158 | 0.0135 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0038 | 0.0232 | 0.0208 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0147 | 0.1201 | 0.1181 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.7297 | 0.7297 |
| Schistosoma mansoni | pyruvate dehydrogenase | 0.003 | 0.0158 | 0.0158 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Schistosoma mansoni | lipoxygenase | 0.0024 | 0.0103 | 0.0103 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Plasmodium falciparum | heat shock protein 90, putative | 0.006 | 0.0428 | 0.0328 |
| Schistosoma mansoni | endoplasmin | 0.0147 | 0.1201 | 0.1201 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Giardia lamblia | Heat shock protein HSP 90-alpha | 0.0147 | 0.1201 | 1 |
| Chlamydia trachomatis | DNA gyrase subunit B | 0.003 | 0.0158 | 0.5 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Brugia malayi | Probable isocitrate dehydrogenase | 0.0138 | 0.1119 | 0.1119 |
| Brugia malayi | Hsp90 protein | 0.006 | 0.0428 | 0.0428 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Toxoplasma gondii | heat shock protein HSP90 | 0.0147 | 0.1201 | 0.106 |
| Mycobacterium leprae | TWO COMPONENT SENSOR HISTIDINE KINASE PRRB | 0.003 | 0.0158 | 0.0256 |
| Mycobacterium ulcerans | two component sensor histidine kinase SenX3 | 0.003 | 0.0158 | 0.123 |
| Toxoplasma gondii | Hsp90 domain-containing protein | 0.006 | 0.0428 | 0.0274 |
| Echinococcus multilocularis | fructose bisphosphate aldolase class I | 0.011 | 0.0866 | 0.0866 |
| Trypanosoma brucei | DNA topoisomerase II beta, putative | 0.003 | 0.0158 | 0.0135 |
| Schistosoma mansoni | heat shock protein | 0.0147 | 0.1201 | 0.1201 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0038 | 0.0232 | 0.0998 |
| Schistosoma mansoni | Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial | 0.0138 | 0.1119 | 0.1119 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Brugia malayi | kinase, mitochondrial precursor | 0.003 | 0.0158 | 0.0158 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0.0232 | 0.0702 |
| Toxoplasma gondii | heat shock protein 90, putative | 0.0147 | 0.1201 | 0.106 |
| Schistosoma mansoni | heat shock protein | 0.0147 | 0.1201 | 0.1201 |
| Plasmodium falciparum | isocitrate dehydrogenase [NADP], mitochondrial | 0.1137 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0117 | 0.0935 | 0.7443 |
| Leishmania major | aldo-keto reductase-like protein | 0.0038 | 0.0232 | 0.0208 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.7297 | 0.7297 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Plasmodium vivax | heat shock protein 86, putative | 0.0147 | 0.1201 | 0.111 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Trichomonas vaginalis | heat shock protein, putative | 0.009 | 0.0695 | 0.5145 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Mycobacterium ulcerans | two component system response phosphate sensor kinase, PhoR | 0.003 | 0.0158 | 0.123 |
| Trypanosoma brucei | isocitrate dehydrogenase, putative | 0.1137 | 1 | 1 |
| Chlamydia trachomatis | DNA gyrase subunit B | 0.003 | 0.0158 | 0.5 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Mycobacterium ulcerans | oxidoreductase | 0.0038 | 0.0232 | 0.1898 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Mycobacterium ulcerans | heat shock protein 90 | 0.0117 | 0.0935 | 0.8314 |
| Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.003 | 0.0158 | 0.0158 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Plasmodium vivax | hypothetical protein, conserved | 0.003 | 0.0158 | 0.0056 |
| Schistosoma mansoni | hypothetical protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.0232 | 0.0232 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.0232 | 0.0232 |
| Giardia lamblia | Aldose reductase | 0.0038 | 0.0232 | 0.0702 |
| Onchocerca volvulus | 0.0024 | 0.0103 | 0.2408 | |
| Loa Loa (eye worm) | endoplasmin | 0.0147 | 0.1201 | 0.1201 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.0232 | 0.0232 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Leishmania major | developmentally regulated phosphoprotein-like protein | 0.003 | 0.0158 | 0.0135 |
| Leishmania major | isocitrate dehydrogenase, putative | 0.0138 | 0.1119 | 0.1098 |
| Echinococcus multilocularis | isocitrate dehydrogenase (NAD) subunit | 0.0138 | 0.1119 | 0.1119 |
| Plasmodium vivax | DNA gyrase subunit B, putative | 0.003 | 0.0158 | 0.0056 |
| Brugia malayi | Probable DNA topoisomerase II | 0.003 | 0.0158 | 0.0158 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 2 | 0.011 | 0.0866 | 0.0866 |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 1 | 0.011 | 0.0866 | 0.0866 |
| Echinococcus multilocularis | isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0117 | 0.0935 | 0.0913 |
| Loa Loa (eye worm) | isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Leishmania major | prostaglandin f synthase, putative | 0.0038 | 0.0232 | 0.0208 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Mycobacterium ulcerans | two component system membrane associated sensor kinase | 0.003 | 0.0158 | 0.123 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 0.0866 | 0.0845 |
| Echinococcus granulosus | heat shock protein 75 kDa mitochondrial | 0.006 | 0.0428 | 0.0428 |
| Mycobacterium ulcerans | sensor kinase from two component regulatory system | 0.003 | 0.0158 | 0.123 |
| Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0208 |
| Mycobacterium ulcerans | two component sensor histidine kinase PrrB | 0.003 | 0.0158 | 0.123 |
| Trypanosoma brucei | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.1137 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 0.0232 | 0.5406 | |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus granulosus | aldehyde reductase | 0.0027 | 0.0133 | 0.0133 |
| Loa Loa (eye worm) | doublecortin family protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus multilocularis | heat shock protein 90 | 0.0147 | 0.1201 | 0.1201 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.0232 | 0.0232 |
| Brugia malayi | Cytochrome P450 family protein | 0.0015 | 0.0024 | 0.0024 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Echinococcus granulosus | Polycystic kidney disease protein | 0.0024 | 0.0103 | 0.0103 |
| Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.003 | 0.0158 | 0.0135 |
| Trypanosoma brucei | heat shock protein, putative | 0.0147 | 0.1201 | 0.1181 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.1137 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.0232 | 0.0232 |
| Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.003 | 0.0158 | 0.3696 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0117 | 0.0935 | 0.0913 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Echinococcus granulosus | hypothetical protein | 0.0038 | 0.0232 | 0.0232 |
| Chlamydia trachomatis | two component regulatory system sensor histidine kinase | 0.003 | 0.0158 | 0.5 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0147 | 0.1201 | 0.1181 |
| Schistosoma mansoni | polycystin 1-related | 0.0024 | 0.0103 | 0.0103 |
| Echinococcus multilocularis | endoplasmin | 0.0117 | 0.0935 | 0.0935 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 0.0866 | 0.0866 |
| Leishmania major | heat shock protein 83-1 | 0.0147 | 0.1201 | 0.1181 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0.0232 | 0.0702 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 273 mg/dl | Antidiabetic activity in mouse 3T3L1 cells assessed as decrease in glucose consumption from cell culture medium using 450 mg/dL D-glucose at 30 ug/mL after 24 hrs (Rvb = 310 +/- 4 mg/dl) | ChEMBL. | 22608392 |
| CD100 (functional) | > 100 uM | Cytotoxicity against human PANC1 cells in nutrient deprived medium after 24 hrs | ChEMBL. | 17950610 |
| CD100 (functional) | > 100 uM | Cytotoxicity against human PANC1 cells in nutrient deprived medium after 24 hrs | ChEMBL. | 17950610 |
| IC50 (binding) | Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis | ChEMBL. | 26762836 | |
| IC50 (binding) | Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry | ChEMBL. | 22112540 | |
| IC50 (binding) | Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by Fluorometry | ChEMBL. | 22112540 | |
| IC50 (binding) | = 1.01 uM | Inhibition of Rattus norvegicus (rat) lens aldose reductase | ChEMBL. | No reference |
| IC50 (functional) | > 10 uM | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability after 72 hrs by MTT assay | ChEMBL. | 26690274 |
| IC50 (functional) | = 16.3 uM | The compound was tested for antiproliferative activity against MCF-7 human breast cancer cells | ChEMBL. | 11720850 |
| IC50 (functional) | = 16.3 uM | The compound was tested for antiproliferative activity against MCF-7 human breast cancer cells | ChEMBL. | 11720850 |
| IC50 (functional) | = 17 uM | Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay | ChEMBL. | 19689125 |
| IC50 (functional) | = 23.1 uM | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | ChEMBL. | 18440233 |
| IC50 (functional) | = 23.2 uM | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | ChEMBL. | 19689125 |
| IC50 (functional) | = 23.8 uM | Antimycobacterial activity against Mycobacterium tuberculosis H37Ra ATCC 25177 assessed as growth inhibition after 24 to 168 hrs by microplate resazurin assay | ChEMBL. | 26473275 |
| IC50 (functional) | = 24.4 uM | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | ChEMBL. | 19689125 |
| IC50 (functional) | = 34 uM | Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay | ChEMBL. | 18440233 |
| IC50 (functional) | = 41.6 uM | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | ChEMBL. | 18440233 |
| IC50 (functional) | = 75 uM | Cytotoxicity against human SK-MEL-28 cells after 72 hrs by MTT assay | ChEMBL. | 21696954 |
| IC50 (ADMET) | = 80.2 uM | Cytotoxicity against human U937 cells | ChEMBL. | 20035557 |
| IC50 (functional) | = 81 uM | Cytotoxicity against human LoVo cells after 72 hrs by MTT assay | ChEMBL. | 21696954 |
| IC50 (functional) | > 100 uM | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | ChEMBL. | 21696954 |
| IC50 (functional) | > 100 uM | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | ChEMBL. | 21696954 |
| IC50 (ADMET) | = 109 uM | Cytotoxicity against human HEK293 cells assessed as cell viability after 24 hrs by cell titer-blue assay | ChEMBL. | 26473275 |
| IC50 (binding) | = 280 uM | Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined | ChEMBL. | 8254620 |
| IC50 (binding) | = 400 uM | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | ChEMBL. | 8254620 |
| IC50 (binding) | = 400 uM | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | ChEMBL. | 8254620 |
| IC50 (binding) | = 400 uM | Inhibition of 5-lipoxygenase in rat RBL1 cells | ChEMBL. | No reference |
| Inhibition (binding) | Inhibition of MRP1 overexpressed in human 2008 MRP1 cells assessed as calcein AM accumulation at 10 uM by fluorimetry | ChEMBL. | 22112540 | |
| Inhibition (binding) | Inhibition of MDR1 in human A2780adr cells assessed as calcein AM accumulation at 10 uM by fluorimetry | ChEMBL. | 22112540 | |
| Inhibition (binding) | Inhibition of Mycobacterium tuberculosis mycothiol disulfide reductase assessed as NADPH oxidation at 800 uM by Ellmans reagent method | ChEMBL. | 20035557 | |
| Inhibition (functional) | = 5 % | Inhibition of lipid peroxidation in rat liver microsomes at 1 microM | ChEMBL. | 8254620 |
| Inhibition (binding) | < 20 % | Inhibition of mushroom tyrosinase at 400 uM | ChEMBL. | 17267225 |
| Inhibition (binding) | < 20 % | Inhibition of mushroom tyrosinase at 400 uM | ChEMBL. | 17267225 |
| Inhibition (functional) | = 40.1 % | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of lipopolysaccharide-induced nitric oxide production at 50 uM pre-incubated for 4 hrs before LPS challenge for 24 hrs by Griess assay | ChEMBL. | 22775441 |
| Inhibition (functional) | = 99.5 % | Antitubercular activity against Mycobacterium tuberculosis H37Rv infected in human U937 cells at MBC by radiometric method | ChEMBL. | 20035557 |
| MBC (functional) | = 416.5 uM | Antitubercular activity against Mycobacterium tuberculosis H37Rv infected in human U937 cells by radiometric method | ChEMBL. | 20035557 |
| MIC (functional) | = 6.25 ug ml-1 | Antifungal activity against Colletotrichum truncatum CE175 | ChEMBL. | 17112640 |
| MIC (functional) | = 6.25 ug ml-1 | Antifungal activity against Phomopsis longicolla Hobbs CE117 | ChEMBL. | 17112640 |
| MIC (functional) | = 195.3 uM | Antitubercular activity against Mycobacterium tuberculosis H37Rv by radiometric method | ChEMBL. | 20035557 |
| MIC (functional) | = 195.3 uM | Antitubercular activity against Mycobacterium tuberculosis H37Rv infected in human U937 cells by radiometric method | ChEMBL. | 20035557 |
| MIC>90 (functional) | = 104 uM | Antimycobacterial activity against Mycobacterium tuberculosis H37Ra ATCC 25177 assessed as growth inhibition after 24 to 168 hrs by microplate resazurin assay | ChEMBL. | 26473275 |
| PC50 (functional) | = 19 uM | Cytotoxicity against human PANC1 cells in nutrient-deprived condition after 24 hrs by WST8 assay | ChEMBL. | 19689125 |
| Potency (ADMET) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 11720850 |
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
- Search by CAS
- ChEMBL: CHEMBL105310
- PubChem: 5376979
Bibliographic References
7 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.