Detailed information for compound 1371640
Basic information
Technical information
- TDR Targets ID: 1371640
- Name: 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitro benzamide
- MW: 306.701 | Formula: C14H11ClN2O4
-
H donors: 2
H acceptors: 4
LogP: 3.22
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(c(c1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])O
- InChi: 1S/C14H11ClN2O4/c1-8-2-5-13(18)12(6-8)16-14(19)10-7-9(17(20)21)3-4-11(10)15/h2-7,18H,1H3,(H,16,19)
- InChiKey: HEQHCEMLTSTZSQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-chloro-N-(2-hydroxy-5-methyl-phenyl)-5-nitro-benzamide
- ZINC00313800
- STK037695
- MLS000676472
- SMR000299030
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | fatty acid synthase | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | glutaminase | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium ulcerans | polyketide synthase | 0.0032 | 0.0196 | 0.0131 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0296 | 0.0711 |
| Mycobacterium tuberculosis | Polyketide synthase Pks13 | 0.0045 | 0.0337 | 0.0303 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC | 0.0032 | 0.0196 | 0.481 |
| Loa Loa (eye worm) | glutaminase | 0.033 | 0.3425 | 1 |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0502 | 0.1323 |
| Toxoplasma gondii | beta-ketoacyl synthase, N-terminal domain-containing protein | 0.002 | 0.0061 | 0.2574 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0502 | 0.1466 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.2942 | 0.8591 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0397 | 0.116 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.003 | 0.0176 | 0.0111 |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Mycobacterium leprae | Polyketide synthase Pks13 | 0.0045 | 0.0337 | 1 |
| Trichomonas vaginalis | glutaminase, putative | 0.033 | 0.3425 | 0.5 |
| Echinococcus granulosus | tumor protein p63 | 0.0408 | 0.4269 | 1 |
| Brugia malayi | Beta-ketoacyl synthase, N-terminal domain containing protein | 0.003 | 0.0176 | 0.0354 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.003 | 0.0176 | 0.0141 |
| Brugia malayi | hypothetical protein | 0.0286 | 0.2942 | 0.8568 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 1 |
| Mycobacterium ulcerans | multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0032 | 0.0196 | 0.0131 |
| Loa Loa (eye worm) | fatty acid synthase | 0.003 | 0.0172 | 0.0501 |
| Brugia malayi | Muscleblind-like protein | 0.018 | 0.1804 | 0.5187 |
| Mycobacterium tuberculosis | Polyketide synthase Pks2 | 0.0029 | 0.0166 | 0.0131 |
| Onchocerca volvulus | 0.006 | 0.0497 | 1 | |
| Mycobacterium ulcerans | Type I modular polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.003 | 0.0176 | 0.0141 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0502 | 0.1323 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA | 0.003 | 0.0176 | 0.4065 |
| Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.003 | 0.0176 | 0.0141 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0032 | 0.0196 | 0.0131 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0502 | 0.1466 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0321 | 0.0627 |
| Mycobacterium ulcerans | glutaminase | 0.033 | 0.3425 | 0.3382 |
| Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0497 | 0.1308 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0057 | 0.0165 |
| Mycobacterium tuberculosis | Polyketide synthase Pks12 | 0.0032 | 0.0196 | 0.0161 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks5 | 0.0029 | 0.0166 | 0.0131 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0024 | 0.0112 | 0.0047 |
| Mycobacterium ulcerans | beta-ketoacyl synthase-like protein | 0.0937 | 1 | 1 |
| Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0028 | 0.0154 | 0.0451 |
| Mycobacterium tuberculosis | Probable membrane bound polyketide synthase Pks6 | 0.0045 | 0.0337 | 0.0303 |
| Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0481 | 0.126 |
| Mycobacterium leprae | Probable polyketide synthase Pks1 | 0.0032 | 0.0196 | 0.481 |
| Mycobacterium ulcerans | polyketide synthase Pks13 | 0.0045 | 0.0337 | 0.0273 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0321 | 0.0784 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0028 | 0.0154 | 0.0291 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0321 | 0.0784 |
| Schistosoma mansoni | glutaminase | 0.033 | 0.3425 | 1 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 0.1804 | 0.4148 |
| Mycobacterium tuberculosis | Probable thioesterase TesA | 0.0025 | 0.0122 | 0.0087 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks7 | 0.0032 | 0.0196 | 0.0161 |
| Onchocerca volvulus | Fatty acid synthase homolog | 0.0054 | 0.0437 | 0.8251 |
| Mycobacterium ulcerans | thioesterase | 0.0025 | 0.0122 | 0.0056 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.0481 | 0.126 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB | 0.0024 | 0.0112 | 0.172 |
| Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.3425 | 1 |
| Echinococcus multilocularis | tumor protein p63 | 0.0408 | 0.4269 | 1 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 0.1804 | 0.4148 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks1 | 0.0022 | 0.0084 | 0.0049 |
| Onchocerca volvulus | 0.0052 | 0.0417 | 0.7661 | |
| Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0481 | 0.126 |
| Mycobacterium tuberculosis | Probable multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0032 | 0.0196 | 0.0161 |
| Plasmodium falciparum | beta-ketoacyl-ACP synthase III | 0.0937 | 1 | 0.5 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0057 | 0.0165 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0296 | 0.0711 |
| Wolbachia endosymbiont of Brugia malayi | 3-oxoacyl-ACP synthase | 0.0937 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable polyketide synthase Pks8 | 0.0025 | 0.0117 | 0.0081 |
| Toxoplasma gondii | type I fatty acid synthase, putative | 0.0021 | 0.0082 | 0.3708 |
| Mycobacterium leprae | PROBABLE THIOESTERASE TESA | 0.0025 | 0.0122 | 0.2064 |
| Onchocerca volvulus | 0.0058 | 0.0481 | 0.9532 | |
| Mycobacterium tuberculosis | 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) | 0.0937 | 1 | 1 |
| Mycobacterium ulcerans | thioesterase TesA | 0.0025 | 0.0122 | 0.0056 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1804 | 0.5266 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0321 | 0.0784 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsB | 0.0024 | 0.0112 | 0.0047 |
| Mycobacterium ulcerans | polyketide synthase | 0.003 | 0.0176 | 0.0111 |
| Plasmodium vivax | beta-ketoacyl-acyl carrier protein synthase III precursor, putative | 0.0937 | 1 | 0.5 |
| Toxoplasma gondii | type I fatty acid synthase, putative | 0.0032 | 0.0196 | 1 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0017 | 0.0033 | 0.0095 |
| Mycobacterium leprae | Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas | 0.0032 | 0.0196 | 0.481 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 0.1804 | 0.4148 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD | 0.003 | 0.0176 | 0.4065 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0321 | 0.0627 |
| Mycobacterium tuberculosis | Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) | 0.0028 | 0.0154 | 0.0119 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0296 | 0.0864 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.2942 | 0.6851 |
| Entamoeba histolytica | fatty acid elongase, putative | 0.0122 | 0.1168 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1804 | 0.5266 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0497 | 0.1451 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.2942 | 0.6851 |
| Brugia malayi | oxidoreductase, zinc-binding dehydrogenase family protein | 0.0057 | 0.0467 | 0.1219 |
| Brugia malayi | glutaminase DH11.1 | 0.033 | 0.3425 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | 13.4 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | 15.8 uM | PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.8184 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9093 uM | PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 9.285 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) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 15.8489 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.0999 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) | = 25.1189 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) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 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) | = 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 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
| 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: CHEMBL1501202
Bibliographic References
No literature references available for this target.
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