Detailed information for compound 1890093
Basic information
Technical information
- TDR Targets ID: 1890093
- Name: methyl 2-[(4,4-dimethyl-2,6-dioxocyclohexylid ene)methylamino]-4,5-dimethoxybenzoate
- MW: 361.389 | Formula: C19H23NO6
-
H donors: 1
H acceptors: 3
LogP: 2.98
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)c1cc(OC)c(cc1NC=C1C(=O)CC(CC1=O)(C)C)OC
- InChi: 1S/C19H23NO6/c1-19(2)8-14(21)12(15(22)9-19)10-20-13-7-17(25-4)16(24-3)6-11(13)18(23)26-5/h6-7,10,20H,8-9H2,1-5H3
- InChiKey: HIFOLSOHPFEXTP-UHFFFAOYSA-N
Network
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Synonyms
- methyl 2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]-4,5-dimethoxy-benzoate
- 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-4,5-dimethoxybenzoic acid methyl ester
- 2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-4,5-dimethoxy-benzoic acid methyl ester
- SMR000105670
- ZINC01211351
- BAS 02232172
- MLS000109731
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | No references |
| Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Schistosoma mansoni | Thioredoxin glutathione reductase | 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 |
|---|---|---|---|---|
| Brugia malayi | Papain family cysteine protease containing protein | 0.001 | 0.0043 | 0.0044 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.0272 | 0.0276 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4653 | 0.4653 |
| Plasmodium vivax | thioredoxin reductase, putative | 0.0046 | 0.2628 | 1 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0762 | 0.1637 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0762 | 0.1637 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Leishmania major | cathepsin L-like protease | 0.002 | 0.0762 | 0.0717 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.3717 | 0.7525 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.0762 | 0.1637 |
| Leishmania major | cathepsin L-like protease | 0.002 | 0.0762 | 0.0717 |
| Plasmodium falciparum | thioredoxin reductase | 0.0016 | 0.044 | 0.1535 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0116 | 0.7768 | 1 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.0762 | 0.0774 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0014 | 0.0272 | 0.0272 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0046 | 0.2672 | 0.5743 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0116 | 0.7768 | 1 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.4653 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.4653 | 0.9393 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.0272 | 0.3182 |
| Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.4925 | 1 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.0762 | 0.0774 |
| Brugia malayi | Cathepsin L-like cysteine proteinase | 0.0014 | 0.0272 | 0.0276 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0016 | 0.044 | 0.0813 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0762 | 0.1637 |
| Echinococcus granulosus | thioredoxin glutathione reductase | 0.0046 | 0.2672 | 0.5743 |
| Brugia malayi | Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein | 0.0012 | 0.0132 | 0.0134 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Loa Loa (eye worm) | thioredoxin reductase | 0.0046 | 0.2628 | 0.2669 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0762 | 1 |
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.044 | 0.5 |
| Loa Loa (eye worm) | glutathione reductase | 0.0046 | 0.2628 | 0.2669 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.0762 | 0.1637 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.0762 | 0.0774 |
| Echinococcus granulosus | cathepsin l1 | 0.0014 | 0.0272 | 0.0585 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.4653 | 1 |
| Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0104 | 0.6916 | 0.8837 |
| Plasmodium falciparum | dihydrolipoyl dehydrogenase, mitochondrial | 0.0016 | 0.044 | 0.1535 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0016 | 0.044 | 0.0813 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0046 | 0.2628 | 0.5293 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.4653 | 0.575 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0043 | 0.0043 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4653 | 1 |
| Brugia malayi | cathepsin L-like precursor | 0.0014 | 0.0272 | 0.0276 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.4925 | 1 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.0762 | 0.1637 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0116 | 0.7768 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0016 | 0.044 | 0.5 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0043 | 0.0043 |
| Mycobacterium tuberculosis | Probable reductase | 0.0104 | 0.6916 | 0.8837 |
| Plasmodium vivax | dihydrolipoyl dehydrogenase, apicoplast, putative | 0.0016 | 0.044 | 0.1535 |
| Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.0016 | 0.044 | 0.0447 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0762 | 0.278 |
| Plasmodium falciparum | thioredoxin reductase | 0.0046 | 0.2628 | 1 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.0762 | 0.0774 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.001 | 0.0043 | 0.0043 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Brugia malayi | alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase | 0.0012 | 0.0132 | 0.0134 |
| Leishmania major | trypanothione reductase | 0.0046 | 0.2628 | 0.4877 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Brugia malayi | Thioredoxin reductase | 0.0046 | 0.2628 | 0.2669 |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.4653 | 1 |
| Leishmania major | cysteine peptidase A (CPA) | 0.002 | 0.0762 | 0.0717 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0762 | 0.1637 |
| Leishmania major | cathepsin L-like protease | 0.002 | 0.0762 | 0.0717 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0762 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.0762 | 0.0774 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0762 | 0.0762 |
| Trichomonas vaginalis | mercuric reductase, putative | 0.0016 | 0.044 | 0.5522 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0762 | 1 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0762 | 0.1637 |
| Plasmodium vivax | glutathione reductase, putative | 0.0046 | 0.2628 | 1 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0016 | 0.044 | 0.0813 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 0.4925 | 1 |
| Leishmania major | cathepsin L-like protease | 0.002 | 0.0762 | 0.0717 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0104 | 0.6916 | 0.8837 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0762 | 1 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4653 | 1 |
| Plasmodium vivax | dihydrolipoyl dehydrogenase, mitochondrial, putative | 0.0016 | 0.044 | 0.1535 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.002 | 0.0762 | 0.278 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.002 | 0.0762 | 0.278 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Brugia malayi | MH2 domain containing protein | 0.0144 | 0.9844 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Trypanosoma brucei | trypanothione reductase | 0.0046 | 0.2628 | 0.5293 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.0762 | 0.0774 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.0272 | 0.3182 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.9844 | 1 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase, point mutation | 0.0016 | 0.044 | 0.0813 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0762 | 0.0774 |
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.044 | 0.5 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.4925 | 1 |
| Giardia lamblia | NADH oxidase lateral transfer candidate | 0.0016 | 0.044 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Echinococcus granulosus | cathepsin L cysteine protease | 0.001 | 0.0043 | 0.0093 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.9844 | 1 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.0762 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.4925 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0272 | 0.0276 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0104 | 0.6916 | 0.8837 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.4436 | 0.8997 |
| Plasmodium falciparum | dihydrolipoyl dehydrogenase, apicoplast | 0.0016 | 0.044 | 0.1535 |
| Echinococcus multilocularis | cathepsin L | 0.001 | 0.0043 | 0.0093 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0046 | 0.2628 | 0.2985 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.0272 | 0.0276 |
| Trypanosoma brucei | dihydrolipoyl dehydrogenase | 0.0016 | 0.044 | 0.0813 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0104 | 0.6916 | 0.8837 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.4925 | 1 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.4653 | 0.4653 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0762 | 0.278 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.0762 | 1 |
| Brugia malayi | glutathione reductase | 0.0046 | 0.2628 | 0.2669 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.002 | 0.0762 | 0.278 |
| Plasmodium falciparum | glutathione reductase | 0.0016 | 0.044 | 0.1535 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0762 | 0.0762 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0762 | 0.1637 |
| Toxoplasma gondii | cathepsin CPL | 0.002 | 0.0762 | 0.0764 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Treponema pallidum | NADH oxidase | 0.0016 | 0.044 | 0.5 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.4925 | 1 |
| Echinococcus granulosus | cathepsin L | 0.001 | 0.0043 | 0.0093 |
| Echinococcus granulosus | dihydrolipoamide dehydrogenase | 0.0016 | 0.044 | 0.0946 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0016 | 0.044 | 0.0813 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.4925 | 1 |
| Trichomonas vaginalis | glutathione reductase, putative | 0.0016 | 0.044 | 0.5522 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.001 | 0.0043 | 0.0044 |
| Schistosoma mansoni | dihydrolipoamide dehydrogenase | 0.0016 | 0.044 | 0.044 |
| Echinococcus granulosus | cysteine protease | 0.001 | 0.0043 | 0.0093 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.4653 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Echinococcus multilocularis | dihydrolipoamide dehydrogenase | 0.0016 | 0.044 | 0.0946 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0762 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0014 | 0.0272 | 0.3182 |
| Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0104 | 0.6916 | 0.8837 |
| Toxoplasma gondii | thioredoxin reductase | 0.0046 | 0.2628 | 0.5192 |
| Onchocerca volvulus | 0.002 | 0.0762 | 1 | |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0762 | 0.0774 |
| Plasmodium falciparum | glutathione reductase | 0.0046 | 0.2628 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.002 | 0.0762 | 0.1472 |
| Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0116 | 0.7768 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0272 | 0.0276 |
| Leishmania major | cathepsin L-like protease | 0.002 | 0.0762 | 0.0717 |
| Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.0272 | 0.0276 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.4654 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) | = 1 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) | 3.1623 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | 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) | = 39.8107 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) | = 70.7946 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 95.2834 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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: CHEMBL3213640
Bibliographic References
No literature references available for this target.
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