Detailed information for compound 1405314

Basic information

Technical information
  • TDR Targets ID: 1405314
  • Name: 1-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethy l)thiourea
  • MW: 280.773 | Formula: C13H13ClN2OS
  • H donors: 2 H acceptors: 0 LogP: 2.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NCc1ccco1)NCc1ccc(cc1)Cl
  • InChi: 1S/C13H13ClN2OS/c14-11-5-3-10(4-6-11)8-15-13(18)16-9-12-2-1-7-17-12/h1-7H,8-9H2,(H2,15,16,18)
  • InChiKey: IBMIFKNYUYKWBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-chlorophenyl)methyl]-3-(2-furylmethyl)thiourea
  • 1-(4-chlorobenzyl)-3-(2-furylmethyl)thiourea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Plasmodium falciparum importin beta, putative 0.0035 0.0447 0.0551
Trypanosoma brucei Fatty acid elongase 0.0039 0.0562 0.0793
Schistosoma mansoni elongation of fatty acids protein 1 0.0039 0.0562 0.0562
Loa Loa (eye worm) fatty acid elongation protein 3 0.0039 0.0562 0.0562
Entamoeba histolytica hypothetical protein 0.0028 0.0261 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0261 1
Trypanosoma cruzi fatty acid elongase, putative 0.0192 0.4916 1
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0192 0.4916 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1167 0.1167
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0187 0.0187
Echinococcus granulosus elongation of very long chain fatty acids 0.0039 0.0562 0.0562
Echinococcus granulosus elongation of very long chain fatty acids 0.0039 0.0562 0.0562
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Trypanosoma brucei Fatty acid elongase 0.0192 0.4916 1
Schistosoma mansoni ran 0.0026 0.0187 0.0187
Loa Loa (eye worm) fatty acid elongation protein 3 0.0192 0.4916 0.4916
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Trypanosoma cruzi fatty acid elongase, putative 0.0192 0.4916 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0261 0.0156
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0187 0.038
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0447 0.0551
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0192 0.4916 0.4916
Schistosoma mansoni fatty acid acyl transferase-related 0.0039 0.0562 0.0562
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0261 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1167 0.2374
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0039 0.0562 0.0793
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0039 0.0562 0.0793
Leishmania major importin beta-1 subunit, putative 0.0028 0.0261 0.0156
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Trypanosoma cruzi fatty acid elongase, putative 0.0192 0.4916 1
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Onchocerca volvulus 0.0039 0.0562 0.5
Trypanosoma brucei Long chain fatty acyl elongase 0.0039 0.0562 0.0793
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0187 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1167 0.1167
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0039 0.0562 0.0562
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0447 0.0551
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Echinococcus granulosus importin subunit beta 1 0.0035 0.0447 0.0447
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1167 0.2374
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Loa Loa (eye worm) hypothetical protein 0.0041 0.0627 0.0627
Echinococcus multilocularis elongation of very long chain fatty acids 0.0039 0.0562 0.0562
Brugia malayi fatty acid elongation protein 3 0.0039 0.0562 0.1143
Brugia malayi Fatty acid elongation protein 3 0.0192 0.4916 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0039 0.0562 0.0562
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0192 0.4916 1
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0039 0.0562 0.0793
Schistosoma mansoni elongation of fatty acids protein 1 0.0039 0.0562 0.0562
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Brugia malayi fatty acid elongation protein 3 0.0039 0.0562 0.1143
Leishmania major fatty acid elongase, putative 0.0192 0.4916 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0039 0.0562 0.0562
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0187 0.0187
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0039 0.0562 0.5
Toxoplasma gondii GNS1/SUR4 family protein 0.0192 0.4916 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0039 0.0562 0.0562
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0039 0.0562 0.1143
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0039 0.0562 0.5
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0192 0.4916 1
Leishmania major fatty acid elongase, putative 0.0192 0.4916 1
Brugia malayi fatty acid elongation protein 3 0.0039 0.0562 0.1143
Brugia malayi fatty acid elongation protein 3 0.0039 0.0562 0.1143
Trypanosoma cruzi fatty acid elongase, putative 0.0192 0.4916 1
Brugia malayi RNA, U transporter 1 0.0099 0.2268 0.4613
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0039 0.0562 0.0793
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0627 0.1275
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0447 0.0447
Echinococcus multilocularis elongation of very long chain fatty acids 0.0039 0.0562 0.0562
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Brugia malayi GNS1/SUR4 family protein 0.0039 0.0562 0.1143
Onchocerca volvulus 0.0039 0.0562 0.5
Brugia malayi Importin beta-1 subunit 0.0035 0.0447 0.091
Plasmodium vivax importin-beta 2, putative 0.0035 0.0447 0.0551
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0039 0.0562 0.5
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Brugia malayi GNS1/SUR4 family protein 0.0192 0.4916 1
Schistosoma mansoni ran 0.0026 0.0187 0.0187
Toxoplasma gondii fatty acid elongase 0.0039 0.0562 0.0793
Trypanosoma cruzi fatty acid elongase, putative 0.0039 0.0562 0.0793
Loa Loa (eye worm) hypothetical protein 0.0035 0.0447 0.0447
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0039 0.0562 0.0793
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0261 1
Leishmania major fatty acid elongase, putative 0.0192 0.4916 1
Loa Loa (eye worm) ELO-9 protein 0.0039 0.0562 0.0562
Schistosoma mansoni importin beta-1 0.0035 0.0447 0.0447
Schistosoma mansoni elongation of fatty acids protein 1 0.0039 0.0562 0.0562
Trypanosoma brucei Fatty acid elongase 0.0039 0.0562 0.0793
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0039 0.0562 0.0562
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Leishmania major fatty acid elongase, putative 0.0039 0.0562 0.0793
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0447 0.0551
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0192 0.4916 1
Schistosoma mansoni hypothetical protein 0.0041 0.0627 0.0627

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (binding) = 39.8107 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) = 44.6684 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
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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