Detailed information for compound 346413
Basic information
Technical information
- Name: Unnamed compound
- MW: 415.463 | Formula: C20H21N3O5S
-
H donors: 3
H acceptors: 5
LogP: 2.92
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CC(Cn1c(=O)c(C(=O)Nc2ccccc2S(=O)(=O)N)c(c2c1cccc2)O)C
- InChi: 1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)
- InChiKey: MLWAJOFPYWTUTE-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Escherichia coli | penicillin-binding protein | Starlite/ChEMBL | No references |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | Starlite/ChEMBL | References |
| Staphylococcus aureus (strain N315) | Probable nicotinate-nucleotide adenylyltransferase | Starlite/ChEMBL | No references |
| Human immunodeficiency virus 1 | Integrase | Starlite/ChEMBL | References |
| Bacillus anthracis | Anthrax lethal factor | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | snurportin 1 | No references | |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | karyopherin (importin) beta 1 | No references | |
| Homo sapiens | glucosidase, alpha | Starlite/ChEMBL | No references |
| Streptococcus pyogenes serotype M1 | Streptokinase A | 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 | esterase, putative | 0.0043 | 0.0444 | 0.9283 |
| Echinococcus multilocularis | neutral alpha glucosidase AB | 0.0044 | 0.0449 | 0.0327 |
| Brugia malayi | beta-lactamase | 0.0043 | 0.0444 | 0.0665 |
| Entamoeba histolytica | ubiquitin carboxyl-terminal hydrolase domain containing protein | 0.0045 | 0.0478 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0043 | 0.0444 | 0.9283 |
| Onchocerca volvulus | 0.0114 | 0.2491 | 1 | |
| Echinococcus granulosus | Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 0.0478 | 0.0356 |
| Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0372 | 1 | 1 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.0407 | 0.8517 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.0478 | 1 |
| Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0043 | 0.0444 | 0.0322 |
| Mycobacterium leprae | PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC | 0.0345 | 0.921 | 1 |
| Leishmania major | alpha glucosidase II subunit, putative | 0.0044 | 0.0449 | 0.9392 |
| Echinococcus granulosus | beta LACTamase domain containing family member | 0.0043 | 0.0444 | 0.0322 |
| Echinococcus granulosus | ubiquitin specific protease 41 | 0.0045 | 0.0478 | 0.0356 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0.0444 | 0.9283 |
| Echinococcus multilocularis | Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 0.0478 | 0.0356 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0044 | 0.0449 | 0.9392 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.0407 | 0.8517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0126 | 0.0018 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0407 | 0.8517 |
| Echinococcus granulosus | geminin | 0.0205 | 0.5135 | 0.5073 |
| Plasmodium falciparum | nicotinamide/nicotinic acid mononucleotide adenylyltransferase | 0.0345 | 0.921 | 1 |
| Trichomonas vaginalis | neutral alpha-glucosidase ab precursor, putative | 0.0044 | 0.0449 | 0.9392 |
| Loa Loa (eye worm) | ICD-1 protein | 0.0042 | 0.0407 | 0.0302 |
| Schistosoma mansoni | transcription factor btf3 | 0.0042 | 0.0407 | 0.0285 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5135 | 0.5073 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0.0478 | 1 |
| Echinococcus multilocularis | snurportin 1 | 0.0372 | 1 | 1 |
| Mycobacterium tuberculosis | Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic | 0.0345 | 0.921 | 1 |
| Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0.0449 | 0.9392 |
| Toxoplasma gondii | glycosyl hydrolase, family 31 protein | 0.0044 | 0.0449 | 1 |
| Treponema pallidum | hypothetical protein | 0.0345 | 0.921 | 0.5 |
| Brugia malayi | Importin beta-1 subunit | 0.0035 | 0.0192 | 0.0137 |
| Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0043 | 0.0444 | 0.0339 |
| Toxoplasma gondii | ABC1 family protein | 0.0043 | 0.0444 | 0.9797 |
| Echinococcus granulosus | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 0.0478 | 0.0356 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0407 | 0.8517 |
| Trypanosoma brucei | glucosidase, putative | 0.0044 | 0.0449 | 0.0411 |
| Echinococcus multilocularis | importin subunit beta 1 | 0.0035 | 0.0192 | 0.0066 |
| Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0.0449 | 0.9392 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Echinococcus multilocularis | transcription factor btf3 | 0.0042 | 0.0407 | 0.0285 |
| Trichomonas vaginalis | sucrase-isomaltase, putative | 0.0044 | 0.0449 | 0.9392 |
| Echinococcus granulosus | lysosomal alpha glucosidase | 0.0197 | 0.4906 | 0.4841 |
| Mycobacterium ulcerans | bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein | 0.0345 | 0.921 | 1 |
| Brugia malayi | RNA, U transporter 1 | 0.0099 | 0.2061 | 0.4048 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0407 | 0.8517 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0444 | 0.9283 |
| Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0.0449 | 0.9392 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0045 | 0.0478 | 1 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0278 | 0.7265 | 0.7781 |
| Brugia malayi | Glycosyl hydrolases family 31 protein | 0.0197 | 0.4906 | 1 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0043 | 0.0444 | 0.0322 |
| Trypanosoma brucei | transcription factor BTF3, putative | 0.0042 | 0.0407 | 0.0344 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0.0444 | 0.9283 |
| Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.4906 | 0.4841 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0043 | 0.0444 | 0.0322 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Brugia malayi | Ubiquitin carboxyl-terminal hydrolase family protein | 0.0045 | 0.0478 | 0.0736 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0043 | 0.0444 | 0.0402 |
| Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0.0449 | 0.9392 |
| Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.0044 | 0.0449 | 0.9392 |
| Leishmania major | ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative | 0.0045 | 0.0478 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0372 | 1 | 1 |
| Entamoeba histolytica | transcription factor BTF3, putative | 0.0042 | 0.0407 | 0.8517 |
| Brugia malayi | beta-lactamase family protein | 0.0043 | 0.0444 | 0.0665 |
| Trichomonas vaginalis | alpha-glucosidase, putative | 0.0044 | 0.0449 | 0.9392 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.0478 | 1 |
| Schistosoma mansoni | ubiquitin-specific peptidase 2 (C19 family) | 0.0045 | 0.0478 | 0.0356 |
| Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.4108 | 0.4033 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0444 | 0.9283 |
| Echinococcus multilocularis | ubiquitin specific protease 41 | 0.0045 | 0.0478 | 0.0356 |
| Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.0197 | 0.4906 | 0.485 |
| Schistosoma mansoni | importin beta-1 | 0.0035 | 0.0192 | 0.0066 |
| Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.0044 | 0.0449 | 0.0344 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0407 | 0.8517 |
| Schistosoma mansoni | hypothetical protein | 0.025 | 0.6456 | 0.6411 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0044 | 0.0449 | 0.9392 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.4108 | 0.4033 |
| Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.4906 | 0.4841 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0126 | 0.0018 |
| Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.0044 | 0.0449 | 0.9392 |
| Onchocerca volvulus | 0.0043 | 0.0444 | 0.1343 | |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5135 | 0.5073 |
| Echinococcus granulosus | neutral alpha glucosidase AB | 0.0044 | 0.0449 | 0.0327 |
| Brugia malayi | Glycosyl hydrolases family 31 protein | 0.0044 | 0.0449 | 0.0676 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Trypanosoma brucei | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.0478 | 0.0457 |
| Trichomonas vaginalis | maltase-glucoamylase, putative | 0.0044 | 0.0449 | 0.9392 |
| Plasmodium falciparum | basic transcription factor 3b, putative | 0.0042 | 0.0407 | 0.0239 |
| Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0043 | 0.0444 | 0.0665 |
| Plasmodium vivax | nicotinate-nucleotide adenylyltransferase, putative | 0.0345 | 0.921 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0043 | 0.0444 | 0.0279 |
| Leishmania major | basic transcription factor 3a, putative | 0.0042 | 0.0407 | 0.8517 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0.0444 | 0.9283 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0126 | 0.0018 |
| Trypanosoma brucei | RNA helicase, putative | 0.025 | 0.6456 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0.0444 | 0.9283 |
| Schistosoma mansoni | alpha glucosidase | 0.0044 | 0.0449 | 0.0327 |
| Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.0478 | 0.0373 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0444 | 0.0339 |
| Onchocerca volvulus | 0.0043 | 0.0444 | 0.1343 | |
| Toxoplasma gondii | NAC domain-containing protein | 0.0042 | 0.0407 | 0.8375 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0.0478 | 1 |
| Schistosoma mansoni | ubiquitin-specific peptidase 8 (C19 family) | 0.0045 | 0.0478 | 0.0356 |
| Echinococcus multilocularis | geminin | 0.0205 | 0.5135 | 0.5073 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0444 | 0.9283 |
| Brugia malayi | beta-NAC-like protein | 0.0042 | 0.0407 | 0.0588 |
| Onchocerca volvulus | 0.0043 | 0.0444 | 0.1343 | |
| Echinococcus multilocularis | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 0.0478 | 0.0356 |
| Echinococcus granulosus | transcription factor btf3 | 0.0042 | 0.0407 | 0.0285 |
| Trichomonas vaginalis | neutral alpha-glucosidase ab precursor, putative | 0.0044 | 0.0449 | 0.9392 |
| Loa Loa (eye worm) | beta-lactamase | 0.0043 | 0.0444 | 0.0339 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0192 | 0.0084 |
| Plasmodium vivax | basic transcription factor 3b, putative | 0.0042 | 0.0407 | 0.0239 |
| Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0045 | 0.0478 | 0.5 |
| Echinococcus granulosus | importin subunit beta 1 | 0.0035 | 0.0192 | 0.0066 |
| Brugia malayi | beta-lactamase family protein | 0.0043 | 0.0444 | 0.0665 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | 0 | Antiviral activity in human T cell line CEM-SS infected with HIV1 | ChEMBL. | 16335925 |
| EC50 (functional) | = 8.577 um | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] | ChEMBL. | No reference |
| EC50 (functional) | > 150 um | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] | ChEMBL. | No reference |
| IC50 (functional) | 8.62 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 16 uM | Inhibition of strand transfer catalytic activity HIV1 integrase | ChEMBL. | 16335925 |
| IC50 (binding) | = 16 uM | Inhibition of strand transfer catalytic activity HIV1 integrase | ChEMBL. | 16335925 |
| IC50 (binding) | = 16 uM | Inhibition of HIV1 integrase strand transfer activity by PAGE | ChEMBL. | 19026554 |
| IC50 (functional) | > 20 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] | ChEMBL. | No reference |
| IC50 (binding) | = 40 uM | Inhibition of 3'-processing catalytic activity HIV1 integrase | ChEMBL. | 16335925 |
| IC50 (binding) | = 40 uM | Inhibition of 3'-processing catalytic activity HIV1 integrase | ChEMBL. | 16335925 |
| IC50 (binding) | = 40 uM | Inhibition of HIV1 integrase 3' processing activity by PAGE | ChEMBL. | 19026554 |
| IC50 (functional) | 61.15 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.0398 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
| Potency (functional) | = 0.631 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) | = 3.9811 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) | = 3.9811 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 |
| Potency (functional) | = 7.9433 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.3564 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) | 20.5962 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 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) | 31.6228 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] | 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 for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (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 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 (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
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: CHEMBL197014
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.