Detailed information for compound 1331025
Basic information
Technical information
- TDR Targets ID: 1331025
- Name: methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1 -carbothioyl]amino]phenyl]acetate
- MW: 385.48 | Formula: C20H23N3O3S
-
H donors: 2
H acceptors: 2
LogP: 2.74
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)Cc1ccc(cc1)NC(=S)N1CCN(CC1)c1cccc(c1)O
- InChi: 1S/C20H23N3O3S/c1-26-19(25)13-15-5-7-16(8-6-15)21-20(27)23-11-9-22(10-12-23)17-3-2-4-18(24)14-17/h2-8,14,24H,9-13H2,1H3,(H,21,27)
- InChiKey: VCJCJBNRGRCLHK-UHFFFAOYSA-N
Network
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Synonyms
- 2-[4-[[[4-(3-hydroxyphenyl)-1-piperazinyl]-thioxomethyl]amino]phenyl]acetic acid methyl ester
- 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester
- methyl 2-[4-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate
- MLS000581522
- SMR000200149
- methyl [4-({[4-(3-hydroxyphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate
- STK164815
- ZINC02199962
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glutaminase | Starlite/ChEMBL | No references |
| Homo sapiens | K(lysine) acetyltransferase 2A | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | CAMK family protein kinase | 0.0056 | 0.0127 | 0.0107 |
| Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.35 | 1 | 1 |
| Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.0015 | 0.0005 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.0058 | 0.0048 |
| Brugia malayi | Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 | 0.004 | 0.008 | 0.0071 |
| Mycobacterium ulcerans | glutaminase | 0.033 | 0.0911 | 0.0826 |
| Brugia malayi | acetyltransferase, GNAT family protein | 0.0175 | 0.0467 | 0.0457 |
| Schistosoma mansoni | lamin | 0.0033 | 0.0058 | 0.0048 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-B | 0.0051 | 0.0112 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Brugia malayi | RNA binding protein | 0.0063 | 0.0146 | 0.0136 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 0.0482 | 0.0473 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-A | 0.0051 | 0.0112 | 1 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 0.0482 | 0.0473 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.0292 | 0.0292 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1642 | 0.4673 | 1 |
| Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.35 | 1 | 1 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 0.0482 | 0.0473 |
| Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0132 | 0.0122 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0552 | 0.0542 |
| Echinococcus granulosus | expressed protein | 0.004 | 0.008 | 0.0071 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.0058 | 0.0048 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Plasmodium vivax | histone acetyltransferase GCN5, putative | 0.0051 | 0.0112 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0286 | 0.0784 | 0.0774 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0058 | 0.005 |
| Echinococcus granulosus | tar DNA binding protein | 0.0063 | 0.0146 | 0.0136 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.005 | 0.0107 | 0.0098 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0119 | 0.0306 | 0.0298 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.0292 | 0.0282 |
| Echinococcus multilocularis | expressed protein | 0.004 | 0.008 | 0.0071 |
| Loa Loa (eye worm) | hypothetical protein | 0.005 | 0.0107 | 0.0099 |
| Echinococcus granulosus | lamin | 0.0033 | 0.0058 | 0.0048 |
| Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0062 | 0.0054 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0063 | 0.0146 | 0.0138 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.005 | 0.0107 | 0.0099 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0093 | 1 |
| Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0016 | 0.001 | 0.0000066836 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.0292 | 0.0419 |
| Schistosoma mansoni | kinase | 0.0058 | 0.0131 | 0.0121 |
| Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0175 | 0.0467 | 0.0457 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.0292 | 0.0292 |
| Schistosoma mansoni | lamin | 0.0033 | 0.0058 | 0.0048 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.0058 | 0.0048 |
| Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.1441 | 0.4096 | 0.4091 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.0051 | 0.0112 | 0.0103 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0034 | 0.0062 | 0.0052 |
| Echinococcus multilocularis | Niemann Pick C1 protein | 0.1441 | 0.4096 | 0.409 |
| Onchocerca volvulus | 0.0058 | 0.0132 | 0.3151 | |
| Echinococcus multilocularis | tar DNA binding protein | 0.0063 | 0.0146 | 0.0136 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.0292 | 0.0282 |
| Schistosoma mansoni | patched 1 | 0.1441 | 0.4096 | 0.409 |
| Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.35 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.35 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Loa Loa (eye worm) | acetyltransferase | 0.0175 | 0.0467 | 0.0459 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0132 | 0.0122 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.0058 | 0.0048 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.001 | 0.0002 |
| Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.1441 | 0.4096 | 0.409 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0063 | 0.0146 | 0.0138 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0093 | 0.0083 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0093 | 0.0083 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1642 | 0.4673 | 1 |
| Leishmania major | peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative | 0.0039 | 0.0078 | 0.0078 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0015 | 0.0007 |
| Echinococcus multilocularis | geminin | 0.0205 | 0.0552 | 0.0542 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.0292 | 0.0282 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.0292 | 0.0284 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.35 | 1 | 1 |
| Echinococcus multilocularis | protein patched | 0.1441 | 0.4096 | 0.409 |
| Echinococcus multilocularis | protein dispatched 1 | 0.1441 | 0.4096 | 0.409 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.0056 | 0.0048 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0119 | 0.0306 | 0.0298 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.0482 | 0.0474 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0093 | 0.0083 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0093 | 0.0093 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0093 | 0.0093 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0058 | 0.005 |
| Schistosoma mansoni | hypothetical protein | 0.0034 | 0.0062 | 0.0052 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.0078 | 0.0078 |
| Trypanosoma brucei | peptidyl-prolyl cis-trans isomerase/rotamase, putative | 0.0039 | 0.0078 | 0.0078 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.0292 | 0.0292 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0132 | 0.0122 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.005 | 0.0107 | 0.0098 |
| Trichomonas vaginalis | glutaminase, putative | 0.033 | 0.0911 | 0.1814 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0093 | 0.8248 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.0784 | 0.0774 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0093 | 0.0085 |
| Schistosoma mansoni | gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 | 0.0175 | 0.0467 | 0.0457 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.0078 | 0.0078 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.0093 | 0.0033 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.0058 | 0.0048 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0093 | 0.0083 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.35 | 1 | 1 |
| Loa Loa (eye worm) | Pin1-type peptidyl-prolyl cis-trans isomerase | 0.004 | 0.008 | 0.0072 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0093 | 0.0699 |
| Brugia malayi | CHE-14 protein | 0.1441 | 0.4096 | 0.409 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0552 | 0.0542 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0093 | 0.0033 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0093 | 0.0033 |
| Toxoplasma gondii | peptidylprolyl isomerase | 0.0039 | 0.0078 | 0.6917 |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0016 | 0.001 | 0.0000066836 |
| Brugia malayi | glutaminase DH11.1 | 0.033 | 0.0911 | 0.0902 |
| Echinococcus granulosus | geminin | 0.0205 | 0.0552 | 0.0542 |
| Echinococcus granulosus | sterol regulatory element binding protein | 0.1441 | 0.4096 | 0.409 |
| Trichomonas vaginalis | cat eye syndrome critical region protein 2, cscr2, putative | 0.0051 | 0.0112 | 0.0075 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0093 | 0.0093 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0056 | 0.0127 | 0.0107 |
| Echinococcus multilocularis | GPCR, family 2 | 0.0016 | 0.001 | 0.0000066836 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.0058 | 0.0048 |
| Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.0911 | 0.0904 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.1441 | 0.4096 | 0.8745 |
| Echinococcus granulosus | GPCR family 2 | 0.0016 | 0.001 | 0.0000066836 |
| Echinococcus multilocularis | sterol regulatory element binding protein | 0.1441 | 0.4096 | 0.409 |
| Entamoeba histolytica | acetyltransferase, GNAT family | 0.0047 | 0.01 | 0.1044 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0016 | 0.001 | 0.0000066836 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Loa Loa (eye worm) | glutaminase | 0.033 | 0.0911 | 0.0904 |
| Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.1642 | 0.4673 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.0058 | 0.0048 |
| Loa Loa (eye worm) | hypothetical protein | 0.1441 | 0.4096 | 0.4091 |
| Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.35 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.0058 | 0.0048 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.017 | 0.0453 | 0.0443 |
| Brugia malayi | MH2 domain containing protein | 0.0119 | 0.0306 | 0.0297 |
| Brugia malayi | Muscleblind-like protein | 0.018 | 0.0482 | 0.0473 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0016 | 0.001 | 0.0002 |
| Echinococcus granulosus | Niemann Pick C1 protein | 0.1441 | 0.4096 | 0.409 |
| Plasmodium falciparum | histone acetyltransferase GCN5 | 0.0047 | 0.01 | 0.5 |
| Trichomonas vaginalis | bromodomain-containing protein, putative | 0.0051 | 0.0112 | 0.0075 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.0292 | 0.0282 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.0292 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.001 | 0.0002 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0292 | 0.0466 |
| Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.35 | 1 | 1 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0079 | 0.5 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.35 | 1 | 1 |
| Echinococcus granulosus | Protein patched homolog 1 | 0.1441 | 0.4096 | 0.409 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.0784 | 0.0774 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.0784 | 0.0776 |
| Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0016 | 0.001 | 0.0000066836 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1642 | 0.4673 | 1 |
| Schistosoma mansoni | rotamase | 0.004 | 0.008 | 0.0071 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.0482 | 0.0474 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0093 | 0.0093 |
| Loa Loa (eye worm) | RNA binding protein | 0.0063 | 0.0146 | 0.0138 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.0292 | 0.0292 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.004 | 0.008 | 0.0006 |
| Brugia malayi | TAR-binding protein | 0.0063 | 0.0146 | 0.0136 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.0292 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0063 | 0.0146 | 0.0136 |
| Schistosoma mansoni | glutaminase | 0.033 | 0.0911 | 0.0902 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0079 | 0.5 |
| Trichomonas vaginalis | rotamase, putative | 0.004 | 0.008 | 0.0006 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0093 | 0.0083 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0058 | 0.005 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (binding) | 0.0794 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.6702 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.1623 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 3.6964 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) | 8.1995 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.2753 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 10.691 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.1093 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (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) | = 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) | = 39.8107 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) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] | ChEMBL. | No reference |
| Potency (functional) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] | 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.
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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: CHEMBL1452794
Bibliographic References
No literature references available for this target.
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