Detailed information for compound 1318316

Basic information

Technical information
  • TDR Targets ID: 1318316
  • Name: 3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)- 1-(thiophen-2-ylmethyl)thiourea
  • MW: 403.604 | Formula: C21H29N3OS2
  • H donors: 0 H acceptors: 0 LogP: 4.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1N=C(N(Cc1cccs1)CCCN1CCOCC1)S
  • InChi: 1S/C21H29N3OS2/c1-2-18-7-3-4-9-20(18)22-21(26)24(17-19-8-5-16-27-19)11-6-10-23-12-14-25-15-13-23/h3-5,7-9,16H,2,6,10-15,17H2,1H3,(H,22,26)
  • InChiKey: DLZXOZYETDVJEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-ethylphenyl)-1-(3-morpholinopropyl)-1-(2-thienylmethyl)thiourea
  • MLS000586303
  • N'-(2-ethylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
  • SMR000204666

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 lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi 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 japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed 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 Retinal dehydrogenase 1, putative 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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni 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
Echinococcus granulosus intermediate filament 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
Echinococcus granulosus lamin dm0 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Echinococcus granulosus cytoplasmic intermediate filament protein 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
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
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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Loa Loa (eye worm) hypothetical 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Onchocerca volvulus 0.0051 0.0167 0.0005
Brugia malayi Trypsin family protein 0.0089 0.0839 0.0839
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Echinococcus multilocularis fibrillin 1 0.0132 0.159 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0056 0.0056
Schistosoma mansoni notch 0.005 0.0162 0.0162
Echinococcus granulosus slit 2 protein 0.005 0.0162 0.0692
Schistosoma mansoni hypothetical protein 0.0089 0.0839 0.0839
Echinococcus granulosus protein jagged 2 0.005 0.0162 0.0692
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Toxoplasma gondii PAN domain-containing protein 0.0051 0.0167 0.0005
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0132 0.159 0.159
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Echinococcus granulosus fibropellin Ia 0.005 0.0162 0.0692
Loa Loa (eye worm) hypothetical protein 0.0132 0.159 0.159
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) TK/ROR protein kinase 0.0103 0.108 0.108
Loa Loa (eye worm) PAN domain-containing protein 0.0051 0.0167 0.0167
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Toxoplasma gondii microneme protein MIC17A 0.0051 0.0167 0.0005
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Onchocerca volvulus 0.0103 0.108 0.0933
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0132 0.159 0.159
Toxoplasma gondii microneme protein MIC17C 0.0051 0.0167 0.0005
Plasmodium falciparum cysteine repeat modular protein 1 0.0103 0.108 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0562 0.5
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0562 0.0562
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0056 0.0056
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0089 0.0839 0.5102
Echinococcus granulosus protein jagged 2 0.005 0.0162 0.0692
Loa Loa (eye worm) hypothetical protein 0.0614 1 1
Loa Loa (eye worm) PAN domain-containing protein 0.0051 0.0167 0.0167
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Loa Loa (eye worm) Notch2 0.005 0.0162 0.0162
Echinococcus multilocularis protein jagged 1 0.005 0.0162 0.0692
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Brugia malayi Trypsin family protein 0.0089 0.0839 0.0839
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0132 0.159 0.159
Onchocerca volvulus 0.0051 0.0167 0.0005
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0089 0.0839 0.0839
Echinococcus multilocularis enteropeptidase 0.0089 0.0839 0.5102
Echinococcus multilocularis tissue type plasminogen activator 0.0103 0.108 0.6678
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.0839
Echinococcus granulosus notch 0.005 0.0162 0.0692
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.0839
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Onchocerca volvulus 0.0614 1 1
Onchocerca volvulus 0.0089 0.0839 0.0688
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Onchocerca volvulus 0.0089 0.0839 0.0688
Brugia malayi Calcium binding EGF domain containing protein 0.0132 0.159 0.159
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0562 0.3296
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Toxoplasma gondii hypothetical protein 0.0051 0.0167 0.0005
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0056 0.0056
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0089 0.0839 0.0839
Toxoplasma gondii microneme protein MIC4 0.0051 0.0167 0.0005
Schistosoma mansoni hypothetical protein 0.0103 0.108 0.108
Schistosoma mansoni laminin gamma-3 chain 0.005 0.0162 0.0162
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Onchocerca volvulus 0.0089 0.0839 0.0688
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Echinococcus multilocularis neurogenic locus protein delta 0.005 0.0162 0.0692
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Toxoplasma gondii hypothetical protein 0.0051 0.0167 0.0005
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0103 0.108 0.5
Echinococcus granulosus glycoprotein Antigen 5 0.0089 0.0839 0.5102
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0562 0.0562
Toxoplasma gondii PAN domain-containing protein 0.0588 0.9546 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0839 0.0839
Echinococcus granulosus Mastin 0.0089 0.0839 0.5102
Onchocerca volvulus 0.0051 0.0167 0.0005
Loa Loa (eye worm) hypothetical protein 0.0614 1 1
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0132 0.159 0.159
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.005 0.0162 0.0162
Echinococcus granulosus neurogenic locus protein delta 0.005 0.0162 0.0692
Echinococcus multilocularis neurogenic locus notch protein 4 0.005 0.0162 0.0692
Toxoplasma gondii PAN domain-containing protein 0.0051 0.0167 0.0005
Toxoplasma gondii PAN domain-containing protein 0.0588 0.9546 1
Onchocerca volvulus 0.0051 0.0167 0.0005
Mycobacterium ulcerans hypothetical protein 0.0089 0.0839 1
Onchocerca volvulus 0.0051 0.0167 0.0005
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Echinococcus multilocularis slit 2 protein 0.005 0.0162 0.0692
Loa Loa (eye worm) PAN domain-containing protein 0.0051 0.0167 0.0167
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Toxoplasma gondii PAN domain-containing protein 0.0051 0.0167 0.0005
Echinococcus multilocularis protein jagged 2 0.005 0.0162 0.0692
Echinococcus multilocularis Tolloid protein 1 0.0132 0.159 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0333 0.0333
Echinococcus multilocularis laminin 0.0132 0.159 1
Echinococcus granulosus tissue type plasminogen activator 0.0103 0.108 0.6678
Onchocerca volvulus 0.0051 0.0167 0.0005
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0614 1 1
Onchocerca volvulus 0.0051 0.0167 0.0005
Brugia malayi Delta serrate ligand family protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0089 0.0839 0.0839
Onchocerca volvulus 0.0089 0.0839 0.0688
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0132 0.159 0.159
Brugia malayi notch-like transmembrane receptor 0.005 0.0162 0.0162
Brugia malayi hypothetical protein 0.0089 0.0839 0.0839
Echinococcus granulosus transmembrane protease serine 3 0.0089 0.0839 0.5102
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0051 0.0167 0.0005
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Echinococcus multilocularis Mastin 0.0089 0.0839 0.5102
Brugia malayi Trypsin family protein 0.0089 0.0839 0.0839
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.005 0.0162 0.0162
Loa Loa (eye worm) PAN domain-containing protein 0.0051 0.0167 0.0167
Brugia malayi Calcium binding EGF domain containing protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Schistosoma mansoni notch 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Toxoplasma gondii PAN/Apple domain-containing protein 0.0051 0.0167 0.0005
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Onchocerca volvulus 0.0051 0.0167 0.0005
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) notch protein 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Brugia malayi Kringle domain containing protein 0.0103 0.108 0.108
Brugia malayi Trypsin-like protease protein 5 0.0089 0.0839 0.0839
Schistosoma mansoni notch 0.005 0.0162 0.0162
Brugia malayi EGF-like domain containing protein 0.005 0.0162 0.0162
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0089 0.0839 0.0839
Echinococcus multilocularis transmembrane protease serine 3 0.0089 0.0839 0.5102
Echinococcus granulosus neurogenic locus notch protein 0.005 0.0162 0.0692
Onchocerca volvulus 0.0089 0.0839 0.0688
Loa Loa (eye worm) hypothetical protein 0.006 0.0333 0.0333
Echinococcus granulosus neurogenic locus notch protein 0.005 0.0162 0.0692
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0089 0.0839 0.5102
Onchocerca volvulus Arrow homolog 0.0132 0.159 0.1451
Echinococcus granulosus delta-like protein 1 0.005 0.0162 0.0692
Onchocerca volvulus 0.0525 0.8443 0.8417
Schistosoma mansoni septate junction protein 0.005 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0089 0.0839 0.0839
Echinococcus multilocularis protein jagged 1 0.005 0.0162 0.0692
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.5102
Echinococcus granulosus enteropeptidase 0.0089 0.0839 0.5102
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0562 0.3296
Toxoplasma gondii subtilisin SUB12 0.0051 0.0167 0.0005
Brugia malayi Calcium binding EGF domain containing protein 0.005 0.0162 0.0162
Brugia malayi GCC2 and GCC3 family protein 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) PAN domain-containing protein 0.0051 0.0167 0.0167
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0614 1 1
Brugia malayi Cadherin domain containing protein 0.005 0.0162 0.0162
Echinococcus multilocularis neural cadherin 0.005 0.0162 0.0692
Toxoplasma gondii PAN domain-containing protein 0.0051 0.0167 0.0005
Echinococcus multilocularis glycoprotein Antigen 5 0.0089 0.0839 0.5102
Loa Loa (eye worm) hypothetical protein 0.0132 0.159 0.159
Echinococcus multilocularis neurogenic locus protein delta 0.005 0.0162 0.0692
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0333 0.0333
Brugia malayi Cadherin domain containing protein 0.005 0.0162 0.0162
Brugia malayi Muscle positioning protein 4 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Echinococcus granulosus protein jagged 1 0.005 0.0162 0.0692
Brugia malayi Protein kinase domain containing protein 0.0103 0.108 0.108
Trypanosoma cruzi hypothetical protein, conserved 0.0103 0.108 0.5
Toxoplasma gondii kringle domain-containing protein 0.0103 0.108 0.0978
Echinococcus multilocularis notch 0.005 0.0162 0.0692
Schistosoma mansoni slit 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Toxoplasma gondii calcium binding egf domain-containing protein 0.0132 0.159 0.1521
Onchocerca volvulus 0.0051 0.0167 0.0005
Echinococcus multilocularis neurogenic locus notch protein 0.005 0.0162 0.0692
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0132 0.159 0.159
Brugia malayi Calcium binding EGF domain containing protein 0.005 0.0162 0.0162
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.0839
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0089 0.0839 0.0839
Onchocerca volvulus 0.0051 0.0167 0.0005
Echinococcus multilocularis neurogenic locus notch protein 0.005 0.0162 0.0692
Toxoplasma gondii microneme protein, putative 0.0051 0.0167 0.0005
Echinococcus granulosus neurogenic locus notch protein 4 0.005 0.0162 0.0692
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0167
Echinococcus granulosus neural cadherin 0.005 0.0162 0.0692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0333 0.0333
Toxoplasma gondii microneme protein MIC17B 0.0051 0.0167 0.0005
Schistosoma mansoni notch 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0089 0.0839 0.0839
Echinococcus granulosus laminin 0.0132 0.159 1
Schistosoma mansoni egf-like domain protein 0.0132 0.159 0.159
Loa Loa (eye worm) trypsin family protein 0.0089 0.0839 0.0839
Schistosoma mansoni cell polarity protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Echinococcus multilocularis fibropellin Ia 0.005 0.0162 0.0692
Schistosoma mansoni notch 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0089 0.0839 0.0839
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0089 0.0839 0.5102
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0132 0.159 0.159
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0132 0.159 0.159
Brugia malayi Fibulin-1 precursor 0.0132 0.159 0.159
Echinococcus multilocularis fat cadherin tumor suppressor 0.005 0.0162 0.0692
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Onchocerca volvulus 0.0051 0.0167 0.0005
Brugia malayi PAN domain containing protein 0.0051 0.0167 0.0167
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni notch 0.005 0.0162 0.0162
Echinococcus granulosus Tolloid protein 1 0.0132 0.159 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.108 0.108
Schistosoma mansoni hypothetical protein 0.005 0.0162 0.0162
Leishmania major hypothetical protein, conserved 0.0103 0.108 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0162 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0089 0.0839 0.0839
Giardia lamblia High cysteine protein 0.005 0.0162 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0132 0.159 0.1521
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0562 0.0426
Echinococcus granulosus protein jagged 1 0.005 0.0162 0.0692

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) = 25.1189 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) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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