Detailed information for compound 1274938

Basic information

Technical information
  • TDR Targets ID: 1274938
  • Name: N-(2-chlorophenyl)thiophene-2-carboxamide
  • MW: 237.705 | Formula: C11H8ClNOS
  • H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)Nc1ccccc1Cl
  • InChi: 1S/C11H8ClNOS/c12-8-4-1-2-5-9(8)13-11(14)10-6-3-7-15-10/h1-7H,(H,13,14)
  • InChiKey: VVKLGRRGDWBYJA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chlorophenyl)-2-thiophenecarboxamide
  • MLS000031954
  • SMR000009408
  • Thiophene-2-carboxylic acid (2-chloro-phenyl)-amide
  • BAS 00678555
  • ZINC00058553
  • AG-205/07896021
  • A0277/0012600

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.703 1
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.703 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.6692 0.8693
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.703 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.762 1
Brugia malayi Thioredoxin reductase 0.0046 0.2026 0.2038
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4389 0.4389
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4389 0.4389
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.4383 0.4383
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.703 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4389 0.6243
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4389 0.4389
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.179 0.2546
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.703 1
Echinococcus granulosus zinc finger protein 0.0024 0.0239 0.034
Loa Loa (eye worm) hypothetical protein 0.0046 0.2021 0.2875
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.6692 0.8693
Loa Loa (eye worm) hypothetical protein 0.0097 0.5994 0.8526
Schistosoma mansoni hypothetical protein 0.0025 0.0339 0.0339
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.179 0.2546
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.703 1
Leishmania major trypanothione reductase 0.0046 0.2026 0.2308
Plasmodium falciparum thioredoxin reductase 0.0046 0.2026 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4389 0.6243
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2026 0.2881
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Schistosoma mansoni kinase 0.0056 0.2778 0.2778
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.2026 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.762 1
Trypanosoma brucei polo-like protein kinase 0.011 0.703 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4389 0.6243
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0521 0.074
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0339 0.0483
Loa Loa (eye worm) hypothetical protein 0.0052 0.2427 0.3452
Giardia lamblia Kinase, PLK 0.011 0.703 0.5
Trypanosoma brucei trypanothione reductase 0.0046 0.2026 0.2308
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4389 0.4389
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0521 0.074
Loa Loa (eye worm) hypothetical protein 0.0049 0.2246 0.3194
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.0524 0.5
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.0524 0.5
Brugia malayi glutathione reductase 0.0046 0.2026 0.2038
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.6692 0.8693
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4389 0.5798
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2026 0.2117
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.4044 0.5752
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2026 1
Brugia malayi Bromodomain containing protein 0.0091 0.5494 0.7556
Echinococcus multilocularis L aminoadipate semialdehyde 0.0097 0.5994 0.8526
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.762 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.6692 0.8693
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0027 0.0524 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0097 0.5994 0.5994
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4389 0.6243
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2026 0.2881
Trichomonas vaginalis CAMK family protein kinase 0.011 0.703 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0239 0.034
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0097 0.5994 0.8352
Brugia malayi TAR-binding protein 0.0076 0.4389 0.5798
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0058 0.0083
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.703 1
Brugia malayi RNA binding protein 0.0076 0.4389 0.5798
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4389 0.4389
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.4044 0.5752
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.6692 0.8693
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2026 0.2881
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.762 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.5089 0.7238
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0521 0.0521
Mycobacterium tuberculosis Probable reductase 0.0106 0.6692 0.8693
Schistosoma mansoni serine/threonine protein kinase 0.011 0.703 0.703
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0.0524 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.703 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0097 0.5994 0.8526
Loa Loa (eye worm) glutathione reductase 0.0046 0.2026 0.2881
Schistosoma mansoni zinc finger protein 0.0024 0.0239 0.0239
Plasmodium vivax glutathione reductase, putative 0.0046 0.2026 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4389 0.6243
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.0524 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.6692 0.8693
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.703 1
Plasmodium falciparum glutathione reductase 0.0046 0.2026 1
Brugia malayi Bromodomain containing protein 0.0046 0.2014 0.202

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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