Detailed information for compound 1328555

Basic information

Technical information
  • TDR Targets ID: 1328555
  • Name: 2,4-dichloro-N-(4-methylpiperazin-1-yl)benzam ide
  • MW: 288.173 | Formula: C12H15Cl2N3O
  • H donors: 1 H acceptors: 1 LogP: 2.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)NC(=O)c1ccc(cc1Cl)Cl
  • InChi: 1S/C12H15Cl2N3O/c1-16-4-6-17(7-5-16)15-12(18)10-3-2-9(13)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,15,18)
  • InChiKey: OTDXIZVTZSQMNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,4-dichloro-N-(4-methyl-1-piperazinyl)benzamide
  • AK-968/11369078
  • MLS000699177
  • SMR000227139
  • STK334251
  • Oprea1_735399

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum 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
Loa Loa (eye worm) 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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 mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical 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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0127 0.4808
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1006 0.1065
Brugia malayi PHD-finger family protein 0.003 0.0468 0.0346
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.3357 0.3786
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0353 0.047
Schistosoma mansoni hypothetical protein 0.0048 0.1186 0.1579
Schistosoma mansoni hypothetical protein 0.0205 0.7513 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0353 0.031
Schistosoma mansoni zinc finger protein 0.0024 0.0208 0.0277
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.8726 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.199 0.2649
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.199 0.2649
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3357 0.4468
Loa Loa (eye worm) hypothetical protein 0.0085 0.2701 0.2638
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0264 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.3357 0.3786
Echinococcus granulosus geminin 0.0205 0.7513 0.8597
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1186 0.1073
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0127 0.4808
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0127 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2164 0.2406
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0127 0.4808
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0086 0.0114
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1484 0.141
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.199 1
Brugia malayi hypothetical protein 0.0025 0.0264 0.0139
Schistosoma mansoni bromodomain containing protein 0.0076 0.2339 0.3113
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0115 0.003
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0127 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0127 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0086 0.0114
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.018
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0264 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0127 0.0042
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0127 0.4808
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.3357 0.3786
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.124 0.1164
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0086 0.0114
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0127 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2164 0.2406
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0266 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0264 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0264 1
Schistosoma mansoni hypothetical protein 0.0205 0.7513 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1484 0.1618
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1484 0.1975
Echinococcus granulosus zinc finger protein 0.0024 0.0208 0.0142
Leishmania major hypothetical protein, conserved 0.0025 0.0264 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0127 0.0048
Schistosoma mansoni survival motor neuron protein 0.0048 0.1186 0.1579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1484 0.1618
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3357 0.4468
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1006 0.1065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1484 0.1975
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.8726 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0264 1
Onchocerca volvulus 0.0048 0.1186 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1484 0.1618
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0127 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1484 0.1618
Brugia malayi hypothetical protein 0.0235 0.8726 0.8709
Toxoplasma gondii melibiase subfamily protein 0.0102 0.3357 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.8726 0.8715
Loa Loa (eye worm) hypothetical protein 0.0052 0.1333 0.1258
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0127 0.0048
Loa Loa (eye worm) hypothetical protein 0.0068 0.199 0.1921
Schistosoma mansoni hypothetical protein 0.0025 0.026 0.0346
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0353 0.031
Loa Loa (eye worm) hypothetical protein 0.0046 0.1124 0.1048
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3357 0.4468
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.026 0.0176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1484 0.1975
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3357 0.4468
Schistosoma mansoni ap endonuclease 0.0022 0.0127 0.0169
Brugia malayi Bromodomain containing protein 0.0091 0.291 0.2819
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1484 0.1374
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0086 0.0114
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0127 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0208 0.0142
Brugia malayi Melibiase family protein 0.0068 0.199 0.1887
Echinococcus multilocularis geminin 0.0205 0.7513 0.8597
Schistosoma mansoni ap endonuclease 0.0022 0.0127 0.0169
Brugia malayi Bromodomain containing protein 0.0046 0.1121 0.1007
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0264 0.0424

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 3.9811 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 (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (functional) = 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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