Detailed information for compound 921277

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.333 | Formula: C19H15FN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Nc1ccc(cc1F)c1cccnc1
  • InChi: 1S/C19H15FN2O2/c1-24-16-7-4-13(5-8-16)19(23)22-18-9-6-14(11-17(18)20)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,23)
  • InChiKey: GCBILDMRDHTEGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1058 0.1882
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0111 0.0197
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0111 0.0197
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0111 0.0197
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0111 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0111 0.0197
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.0737 0.1136
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.0737 0.1136
Loa Loa (eye worm) carboxylesterase 0.0034 0.0737 0.1127
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.0737 1
Brugia malayi hypothetical protein 0.0036 0.0778 0.1187
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0111 0.0197
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0013 0.0111 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1058 0.1698
Loa Loa (eye worm) hypothetical protein 0.0204 0.5625 0.982
Echinococcus multilocularis carboxylesterase 5A 0.0204 0.5625 1
Brugia malayi Pre-SET motif family protein 0.0207 0.5727 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1058 0.1882
Loa Loa (eye worm) hypothetical protein 0.0027 0.0519 0.0739
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0111 0.0014
Brugia malayi Carboxylesterase family protein 0.0034 0.0737 0.1115
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Leishmania major p-glycoprotein 0.0013 0.0111 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis set domain proteins, putative 0.0236 0.6554 1
Brugia malayi Carboxylesterase family protein 0.0034 0.0737 0.1115
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0034 0.0737 0.1311
Schistosoma mansoni intermediate filament proteins 0.0027 0.0519 0.0739
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0602 0.1069
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis abcb9, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis acetylcholinesterase 0.0204 0.5625 1
Entamoeba histolytica hypothetical protein 0.0036 0.0778 0.0674
Trichomonas vaginalis abcb9, putative 0.0013 0.0111 0.0169
Echinococcus granulosus carboxylesterase 5A 0.0204 0.5625 1
Schistosoma mansoni gliotactin 0.0034 0.0737 0.1136
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.0737 0.1136
Echinococcus granulosus para nitrobenzyl esterase 0.0034 0.0737 0.1311
Trichomonas vaginalis spcc417.12 protein, putative 0.0034 0.0737 0.1125
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0111 0.0197
Echinococcus granulosus acetylcholinesterase 0.0204 0.5625 1
Echinococcus granulosus neuroligin 0.0034 0.0737 0.1311
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0111 0.0014
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0519 0.0739
Loa Loa (eye worm) hypothetical protein 0.0204 0.5625 0.982
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0101 0.2662 0.2579
Trichomonas vaginalis abcb9, putative 0.0013 0.0111 0.0169
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0162 0.4409 0.7794
Brugia malayi Protein kinase domain containing protein 0.0162 0.4409 0.7654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1058 0.1718
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0111 0.0197
Loa Loa (eye worm) hypothetical protein 0.0013 0.0118 0.0025
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0111 0.0169
Onchocerca volvulus 0.003 0.0602 0.0762
Echinococcus multilocularis lamin dm0 0.0027 0.0519 0.0922
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0602 1
Trichomonas vaginalis CAMK family protein kinase 0.0162 0.4409 0.6728
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0519 0.0739
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0107 0.019
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0778 0.1383
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1058 0.1687
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0162 0.4409 0.7838
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1058 0.1882
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0118 0.0209
Loa Loa (eye worm) hypothetical protein 0.0026 0.0505 0.0713
Giardia lamblia DNA repair protein RAD52 0.0355 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Echinococcus granulosus lamin dm0 0.0027 0.0519 0.0922
Echinococcus granulosus lamin 0.0027 0.0519 0.0922
Echinococcus multilocularis para nitrobenzyl esterase 0.0034 0.0737 0.1311
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0159 0.0085
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0111 0.0169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1058 0.1718
Echinococcus granulosus intermediate filament protein 0.0027 0.0519 0.0922
Onchocerca volvulus 0.0027 0.0519 0.0633
Entamoeba histolytica hypothetical protein 0.0101 0.2662 0.2579
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0602 0.089
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.0737 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0111 0.0197
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis musashi 0.0027 0.0519 0.0922
Onchocerca volvulus 0.0027 0.0519 0.0633
Schistosoma mansoni hypothetical protein 0.0036 0.0778 0.1209
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0159 0.0098
Mycobacterium tuberculosis Carboxylesterase LipT 0.0034 0.0737 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0162 0.4409 0.7838
Loa Loa (eye worm) TTK protein kinase 0.0162 0.4409 0.7657
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Loa Loa (eye worm) carboxylesterase 0.0204 0.5625 0.982
Schistosoma mansoni neuroligin 3 (S09 family) 0.0034 0.0737 0.1136
Onchocerca volvulus 0.0034 0.0737 0.0972
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0778 0.1383
Onchocerca volvulus 0.0034 0.0737 0.0972
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Echinococcus granulosus acetylcholinesterase 0.0204 0.5625 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0111 0.0197
Schistosoma mansoni acetylcholinesterase 0.0034 0.0737 0.1136
Trichomonas vaginalis CAMK family protein kinase 0.0162 0.4409 0.6728
Schistosoma mansoni lamin 0.0027 0.0519 0.0739
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0111 0.0197
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0602 0.1069
Echinococcus granulosus BC026374 protein S09 family 0.0034 0.0737 0.1311
Loa Loa (eye worm) hypothetical protein 0.0013 0.0111 0.0014
Onchocerca volvulus 0.0236 0.6554 1
Onchocerca volvulus 0.0034 0.0737 0.0972
Echinococcus multilocularis acetylcholinesterase 0.0204 0.5625 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0162 0.4409 0.6671
Echinococcus multilocularis BC026374 protein (S09 family) 0.0034 0.0737 0.1311
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0602 0.089
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Brugia malayi Carboxylesterase family protein 0.0204 0.5625 0.9819
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.057 0.1013
Brugia malayi Carboxylesterase family protein 0.0204 0.5625 0.9819
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0111 0.0169
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0111 0.0197
Brugia malayi Carboxylesterase family protein 0.0034 0.0737 0.1115
Onchocerca volvulus 0.0034 0.0737 0.0972
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0118 0.0209
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0602 0.1069
Echinococcus multilocularis lamin 0.0027 0.0519 0.0922
Loa Loa (eye worm) hypothetical protein 0.0013 0.0107 0.0006
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0107 0.019
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0111 0.0169
Brugia malayi intermediate filament protein 0.0027 0.0519 0.0726
Loa Loa (eye worm) carboxylesterase 0.0034 0.0737 0.1127
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0111 0.0169
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0111 0.0197
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0519 0.0726
Echinococcus multilocularis neuroligin 0.0034 0.0737 0.1311
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0034 0.0737 0.1125
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0111 0.0197
Loa Loa (eye worm) hypothetical protein 0.0034 0.0737 0.1127
Schistosoma mansoni lamin 0.0027 0.0519 0.0739
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0602 0.089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1058 0.1718
Entamoeba histolytica hypothetical protein 0.0036 0.0778 0.0674
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0111 0.0197
Trichomonas vaginalis taga, putative 0.0013 0.0111 0.0169
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0034 0.0737 0.1311
Entamoeba histolytica hypothetical protein 0.0036 0.0778 0.0674
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.5727 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0204 0.5625 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0602 0.0886
Plasmodium vivax SET domain protein, putative 0.003 0.0602 1
Brugia malayi hypothetical protein 0.0034 0.0737 0.1115
Entamoeba histolytica hypothetical protein 0.0036 0.0778 0.0674
Schistosoma mansoni BC026374 protein (S09 family) 0.0034 0.0737 0.1136
Onchocerca volvulus 0.0034 0.0737 0.0972
Brugia malayi Pre-SET motif family protein 0.003 0.0602 0.0874
Brugia malayi Carboxylesterase family protein 0.0034 0.0737 0.1115
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0778 0.1209
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0111 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0034 0.0737 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0204 0.5625 0.982
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0602 0.089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1058 0.1882
Loa Loa (eye worm) hypothetical protein 0.0013 0.0111 0.0014
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0111 0.0169
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0111 0.0169

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.26 uM Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay ChEMBL. 25093931
IC50 (binding) > 100 uM Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay ChEMBL. 25093931

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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