Detailed information for compound 1353386

Basic information

Technical information
  • TDR Targets ID: 1353386
  • Name: 1-[(1-methylindol-3-yl)methyl]-3-(3-methylphe nyl)-1-(3-morpholin-4-ylpropyl)thiourea
  • MW: 436.613 | Formula: C25H32N4OS
  • H donors: 1 H acceptors: 0 LogP: 3.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)NC(=S)N(Cc1cn(c2c1cccc2)C)CCCN1CCOCC1
  • InChi: 1S/C25H32N4OS/c1-20-7-5-8-22(17-20)26-25(31)29(12-6-11-28-13-15-30-16-14-28)19-21-18-27(2)24-10-4-3-9-23(21)24/h3-5,7-10,17-18H,6,11-16,19H2,1-2H3,(H,26,31)
  • InChiKey: BWYYXCRRPOZPGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)-1-(3-morpholinopropyl)thiourea
  • 1-[(1-methyl-3-indolyl)methyl]-3-(3-methylphenyl)-1-(3-morpholinopropyl)thiourea
  • MLS000583927
  • N-[(1-methyl-1H-indol-3-yl)methyl]-N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)thiourea
  • SMR000206913

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis 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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Schistosoma mansoni voltage-gated potassium channel 0.0094 0.2595 0.2694
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0299 0.957 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0514 0.0514
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0133 0.0116
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0206 0.642 0.6372
Loa Loa (eye worm) ABC transporter 0.0096 0.2671 0.2671
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0299 0.957 0.5
Echinococcus multilocularis multidrug resistance associated protein 7 0.0108 0.3077 0.3119
Leishmania major pentamidine resistance protein 1 0.0108 0.3077 0.0958
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0386 0.0381
Onchocerca volvulus 0.0299 0.957 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.3077 0.3077
Brugia malayi hypothetical protein 0.0148 0.4432 0.4432
Brugia malayi ABC transporter 0.0093 0.2557 0.2557
Echinococcus multilocularis sodium channel protein 0.0088 0.2389 0.239
Leishmania major ABC-thiol transporter 0.0108 0.3077 0.0958
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0108 0.3077 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0105 0.2963 0.7809
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0108 0.3077 1
Echinococcus granulosus lamin 0.0033 0.0514 0.0403
Brugia malayi ABC transporter transmembrane region family protein 0.0096 0.2671 0.2671
Loa Loa (eye worm) hypothetical protein 0.0105 0.2963 0.2963
Loa Loa (eye worm) hypothetical protein 0.0093 0.2557 0.2557
Echinococcus granulosus multidrug resistance associated protein 7 0.0108 0.3077 0.3119
Entamoeba histolytica P-glyco protein 6, putative 0.0299 0.957 1
Trypanosoma brucei multidrug resistance protein E 0.0108 0.3077 1
Toxoplasma gondii hypothetical protein 0.0186 0.5714 0.4411
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0086 0.2342 0.234
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0299 0.957 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Loa Loa (eye worm) hypothetical protein 0.0186 0.5714 0.5714
Entamoeba histolytica P-glycoprotein-5 0.0299 0.957 1
Entamoeba histolytica ABC transporter, putative 0.0108 0.3077 0.074
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6358 0.6453
Schistosoma mansoni multidrug resistance protein 0.0299 0.957 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.5714 0.5714
Giardia lamblia Multidrug resistance-associated protein 1 0.0108 0.3077 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0086 0.2342 0.2342
Plasmodium vivax multidrug resistance protein 1, putative 0.0299 0.957 1
Echinococcus multilocularis lamin dm0 0.0033 0.0514 0.0403
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0096 0.2671 0.0393
Schistosoma mansoni lamin 0.0033 0.0514 0.0514
Echinococcus granulosus multidrug resistance protein 1 0.0206 0.642 0.6662
Brugia malayi ABC transporter transmembrane region family protein 0.0108 0.3077 0.3077
Brugia malayi ABC transporter family protein 0.0299 0.957 0.957
Schistosoma mansoni multidrug resistance protein 0.0299 0.957 1
Trichomonas vaginalis taga, putative 0.0299 0.957 0.9564
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0299 0.957 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Echinococcus multilocularis musashi 0.0033 0.0514 0.0403
Loa Loa (eye worm) hypothetical protein 0.0021 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0029 0.0386 0.0386
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Leishmania major p-glycoprotein 0.0299 0.957 1
Schistosoma mansoni multidrug resistance protein 0.0108 0.3077 0.3199
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0299 0.957 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0514 0.0514
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0108 0.3077 0.0588
Entamoeba histolytica ATP-binding cassette protein, putative 0.0108 0.3077 0.074
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6732 0.6688
Entamoeba histolytica P-glycoprotein 5, putative 0.0299 0.957 1
Echinococcus multilocularis lamin 0.0033 0.0514 0.0403
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0076 0.198 0.1871
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0108 0.3077 0.3077
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0133 0.0116
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0029 0.0386 0.0386
Brugia malayi ABC transporter family protein 0.0096 0.2671 0.2671
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0133 0.0116
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0299 0.957 0.9564
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0096 0.2671 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0108 0.3077 0.074
Trichomonas vaginalis abcb9, putative 0.0299 0.957 0.9564
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0299 0.957 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0108 0.3077 0.0958
Entamoeba histolytica hypothetical protein 0.0108 0.3077 0.074
Brugia malayi Cyclic-nucleotide gated cation channel 0.0021 0.0133 0.0133
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0299 0.957 0.9564
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0093 0.2557 0.2457
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.2557 0.2457
Plasmodium falciparum multidrug resistance protein 1 0.0299 0.957 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0096 0.2671 0.2671
Echinococcus granulosus multidrug resistance protein 1 0.0299 0.957 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0096 0.2671 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0299 0.957 0.9564
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0514 0.0514
Echinococcus granulosus ATP binding cassette sub family B 0.0096 0.2671 0.2689
Echinococcus multilocularis ATP binding cassette sub family B 0.0096 0.2671 0.2689
Schistosoma mansoni multidrug resistance protein 0.0096 0.2671 0.2774
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0386 0.0381
Giardia lamblia Multidrug resistance-associated protein 1 0.0108 0.3077 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0133 0.0133
Brugia malayi multidrug resistance protein 3 0.0299 0.957 0.957
Schistosoma mansoni multidrug resistance protein 0.0093 0.2557 0.2655
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0133 0.0116
Onchocerca volvulus Huntingtin homolog 0.0148 0.4432 0.4327
Giardia lamblia ABC transporter, putative 0.0108 0.3077 1
Schistosoma mansoni voltage-gated potassium channel 0.0094 0.2595 0.2694
Schistosoma mansoni intermediate filament proteins 0.0033 0.0514 0.0514
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Echinococcus multilocularis ATP binding cassette sub family B 0.0096 0.2671 0.2689
Trichomonas vaginalis ABC transporter, putative 0.0299 0.957 0.9564
Schistosoma mansoni smdr2 0.0299 0.957 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0108 0.3077 1
Schistosoma mansoni lamin 0.0033 0.0514 0.0514
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0096 0.2671 0.0393
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0108 0.3077 0.0958
Trypanosoma brucei p-glycoprotein 0.0108 0.3077 1
Echinococcus multilocularis 0.0096 0.2671 0.2689
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Entamoeba histolytica P-glycoprotein-2, putative 0.0299 0.957 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0093 0.2557 0.2655
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0299 0.957 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0108 0.3077 0.3119
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0096 0.2671 0.5
Brugia malayi hypothetical protein 0.0096 0.2671 0.2671
Loa Loa (eye worm) hypothetical protein 0.0148 0.4432 0.4432
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0076 0.198 0.1871
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0299 0.957 1
Loa Loa (eye worm) hypothetical protein 0.0299 0.957 0.957
Schistosoma mansoni multidrug resistance protein 0.0299 0.957 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0133 0.0116
Loa Loa (eye worm) hypothetical protein 0.0032 0.0493 0.0493
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0096 0.2671 0.0393
Brugia malayi multidrug resistance related protein 1 0.0108 0.3077 0.3077
Loa Loa (eye worm) ABC transporter 0.0096 0.2671 0.2671
Schistosoma mansoni multidrug resistance protein 0.0108 0.3077 0.3199
Echinococcus granulosus multidrug resistance protein 1 0.0299 0.957 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0186 0.5714 0.5714
Leishmania major p-glycoprotein e 0.0108 0.3077 0.0958
Loa Loa (eye worm) hypothetical protein 0.0296 0.9456 0.9456
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0096 0.2671 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0029 0.0386 0.0268
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0096 0.2671 0.5
Echinococcus multilocularis ATP binding cassette sub family B 0.0096 0.2671 0.2689
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0108 0.3077 1
Entamoeba histolytica P-glycoprotein-1 0.0299 0.957 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Brugia malayi ABC transporter transmembrane region family protein 0.0093 0.2557 0.2557
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0108 0.3077 0.0958
Echinococcus granulosus multidrug resistance protein 1 0.0299 0.957 1
Echinococcus multilocularis multidrug resistance protein 1 0.0206 0.642 0.6662
Echinococcus multilocularis ATP binding cassette sub family B 0.0296 0.9456 0.9879
Echinococcus granulosus ATP binding cassette sub family B 0.0093 0.2557 0.2569
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0299 0.957 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0088 0.2389 0.239
Loa Loa (eye worm) hypothetical protein 0.0186 0.5714 0.5714
Loa Loa (eye worm) ABC transporter 0.0096 0.2671 0.2671
Loa Loa (eye worm) hypothetical protein 0.0108 0.3077 0.3077
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0086 0.2342 0.234
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0133 0.0116
Echinococcus granulosus intermediate filament protein 0.0033 0.0514 0.0403
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis abcb9, putative 0.0299 0.957 0.9564
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0299 0.957 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1978 0.1978
Loa Loa (eye worm) hypothetical protein 0.0096 0.2671 0.2671
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0299 0.957 0.9564
Entamoeba histolytica P-glycoprotein 6, putative 0.0096 0.2671 0.0162
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0299 0.957 0.957
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0299 0.957 0.9564
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6732 0.6688
Echinococcus granulosus sodium channel protein 0.0088 0.2389 0.239
Trichomonas vaginalis ABC transporter, putative 0.0299 0.957 0.9564
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0108 0.3077 0.0958
Trypanosoma cruzi multidrug resistance protein E, putative 0.0108 0.3077 1
Schistosoma mansoni multidrug resistance protein 0.0108 0.3077 0.3199
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0299 0.957 0.9564
Echinococcus multilocularis voltage gated potassium channel 0.0029 0.0386 0.0268
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0096 0.2671 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Entamoeba histolytica P-glycoprotein-2 0.0299 0.957 1
Echinococcus granulosus voltage gated potassium channel 0.0029 0.0386 0.0268
Echinococcus granulosus ATP binding cassette sub family B 0.0096 0.2671 0.2689
Entamoeba histolytica ATP-binding cassette protein, putative 0.0108 0.3077 0.074
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0299 0.957 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0093 0.2557 0.2457
Entamoeba histolytica ATP-binding cassette protein, putative 0.0108 0.3077 0.074
Entamoeba histolytica ATP-binding cassette protein, putative 0.0108 0.3077 0.074
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0299 0.957 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0096 0.2671 0.2689
Brugia malayi P-glycoprotein-like protein 0.0096 0.2671 0.2671
Loa Loa (eye worm) hypothetical protein 0.0148 0.4432 0.4432
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0096 0.2671 0.2572
Echinococcus multilocularis multidrug resistance associated protein 1 0.0108 0.3077 0.3119
Brugia malayi ABC transporter family protein 0.0096 0.2671 0.2671
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0093 0.2557 0.2457
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0096 0.2671 0.5
Brugia malayi ABC transporter 0.0096 0.2671 0.2671
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0299 0.957 1
Echinococcus multilocularis multidrug resistance protein 1 0.0299 0.957 1
Schistosoma mansoni multidrug resistance protein 0.0108 0.3077 0.3199
Trichomonas vaginalis ABC transporter, putative 0.0299 0.957 0.9564
Entamoeba histolytica P-glycoprotein 6, putative 0.0096 0.2671 0.0162
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0299 0.957 0.9564
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6358 0.6308
Echinococcus multilocularis multidrug resistance protein 1 0.0299 0.957 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0029 0.0386 0.0268
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0133 0.0133
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0299 0.957 0.9564
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0296 0.9456 0.9879
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0299 0.957 0.9564
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0086 0.2342 0.2342
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0299 0.957 1
Entamoeba histolytica P-glycoprotein-2 0.0299 0.957 1
Echinococcus granulosus multidrug resistance protein 1 0.0206 0.642 0.6662
Echinococcus granulosus lamin dm0 0.0033 0.0514 0.0403
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0096 0.2671 0.2774
Schistosoma mansoni smdr1 0.0096 0.2671 0.2774
Brugia malayi intermediate filament protein 0.0033 0.0514 0.0514
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0096 0.2671 0.5
Loa Loa (eye worm) multidrug resistance protein 3 0.0299 0.957 0.957
Brugia malayi ABC transporter family protein 0.0096 0.2671 0.2671
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Giardia lamblia MRP-like ABC transporter 0.0108 0.3077 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0514 0.0514
Loa Loa (eye worm) hypothetical protein 0.0299 0.957 0.957
Trichomonas vaginalis abcb9, putative 0.0299 0.957 0.9564
Onchocerca volvulus Huntingtin homolog 0.0148 0.4432 0.4327
Trichomonas vaginalis ABC transporter, putative 0.0299 0.957 0.9564
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0096 0.2671 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 22.3872 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 (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 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) 29.0929 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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