Detailed information for compound 1855561

Basic information

Technical information
  • TDR Targets ID: 1855561
  • Name: 3-[(2,3-dichlorophenyl)methylideneamino]-1-ph enylurea
  • MW: 308.163 | Formula: C14H11Cl2N3O
  • H donors: 2 H acceptors: 1 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)N/N=C/c1cccc(c1Cl)Cl
  • InChi: 1S/C14H11Cl2N3O/c15-12-8-4-5-10(13(12)16)9-17-19-14(20)18-11-6-2-1-3-7-11/h1-9H,(H2,18,19,20)/b17-9+
  • InChiKey: LUSVDTGEASQYGO-RQZCQDPDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2,3-dichlorophenyl)methyleneamino]-1-phenyl-urea
  • 3-[(2,3-dichlorophenyl)methyleneamino]-1-phenylurea
  • 3-[(2,3-dichlorobenzylidene)amino]-1-phenyl-urea
  • 3-[(2,3-dichlorophenyl)methylideneamino]-1-phenyl-urea
  • MLS000576853
  • SMR000185329
  • ARONIS016226
  • AN-329/40200595
  • STK046086
  • 2,3-dichlorobenzaldehyde N-phenylsemicarbazone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ferritin 0.001 0.0868 0.0251
Schistosoma mansoni ferritin 0.001 0.0868 0.0767
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Schistosoma mansoni ferritin light chain 0.001 0.0868 0.0767
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4088 0.9117
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4088 0.9122
Schistosoma mansoni ferritin 0.001 0.0868 0.0767
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0327
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9966 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 0.4334
Brugia malayi intermediate filament protein 0.0033 0.4088 0.9122
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1908 0.2845
Trichomonas vaginalis ferritin, putative 0.001 0.0868 1
Schistosoma mansoni lamin 0.0033 0.4088 0.4023
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Echinococcus multilocularis lamin 0.0033 0.4088 0.3701
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1658 0.1097
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.9966 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9966 1
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Onchocerca volvulus 0.0035 0.4393 1
Echinococcus multilocularis expressed protein 0.001 0.0868 0.0251
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.9966 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0868 0.5
Schistosoma mansoni apoferritin-2 0.001 0.0868 0.0767
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0868 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.6047
Loa Loa (eye worm) hypothetical protein 0.0032 0.4002 0.8868
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Echinococcus granulosus cpg binding protein 0.0037 0.4678 0.4334
Loa Loa (eye worm) hypothetical protein 0.0016 0.1658 0.2082
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 1
Schistosoma mansoni lamin 0.0033 0.4088 0.4023
Echinococcus multilocularis musashi 0.0033 0.4088 0.3701
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1908 0.2804
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0327
Schistosoma mansoni apoferritin-2 0.001 0.0868 0.0767
Loa Loa (eye worm) hypothetical protein 0.0033 0.4088 0.9117
Echinococcus granulosus expressed protein 0.001 0.0868 0.0251
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.6047
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4088 0.9117
Echinococcus granulosus lamin dm0 0.0033 0.4088 0.3701
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9966 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.1833
Schistosoma mansoni ferritin 0.001 0.0868 0.0767
Echinococcus granulosus intermediate filament protein 0.0033 0.4088 0.3701
Schistosoma mansoni intermediate filament proteins 0.0033 0.4088 0.4023
Echinococcus multilocularis lamin dm0 0.0033 0.4088 0.3701
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.9966 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.6047
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.6047
Schistosoma mansoni ferritin 0.001 0.0868 0.0767
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9966 0.9965
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.9966 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9966 0.9965
Echinococcus granulosus lamin 0.0033 0.4088 0.3701
Schistosoma mansoni ferritin light chain 0.001 0.0868 0.0767
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0868 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.1833
Trichomonas vaginalis helicase, putative 0.0008 0.0525 0.6047
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.9966 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 1
Echinococcus multilocularis ferritin 0.001 0.0868 0.0251
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1658 0.1097

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 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 (binding) = 3.5481 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) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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