Detailed information for compound 988632

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.584 | Formula: C27H34N4O2
  • H donors: 0 H acceptors: 2 LogP: 5.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CCc1ccccc1OCCCCN1CCN(CC1)c1ncccn1
  • InChi: 1S/C27H34N4O2/c1-32-25-10-6-8-23(22-25)12-13-24-9-2-3-11-26(24)33-21-5-4-16-30-17-19-31(20-18-30)27-28-14-7-15-29-27/h2-3,6-11,14-15,22H,4-5,12-13,16-21H2,1H3
  • InChiKey: KBVKGDXJIDQBBH-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
Plasmodium vivax multidrug resistance protein 1, 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 japonicum Multidrug resistance protein 3, 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 ATP-binding cassette transporter, 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
Loa Loa (eye worm) hypothetical protein 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 ATP-binding cassette transporter, 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
Echinococcus multilocularis ATP binding cassette sub family B 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
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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein 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 ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, 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
Brugia malayi multidrug resistance protein 3 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
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related 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
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein 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 multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Brugia malayi ABC transporter family protein 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
Onchocerca volvulus 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 ATP-binding cassette transporter, putative 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Leishmania donovani 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 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
Loa Loa (eye worm) hypothetical protein 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 granulosus 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 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
Plasmodium falciparum multidrug resistance protein 1 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
Trichomonas vaginalis taga, putative 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
Plasmodium yoelii multidrug resistance protein 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 granulosus multidrug resistance protein 1 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 multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
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
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 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
Echinococcus granulosus multidrug resistance protein 1 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 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 japonicum ATP-binding cassette sub-family B member 5, 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
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 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 mansoni multidrug resistance protein 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
Trichomonas vaginalis ABC transporter, putative 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
Schistosoma japonicum Multidrug resistance protein 1, 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
Entamoeba histolytica P-glycoprotein-1 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Trichomonas vaginalis ATP-binding cassette transporter, putative 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
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 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
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 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
Trichomonas vaginalis ABC transporter, half transporter, putative 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
Neospora caninum hypothetical protein 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
Echinococcus granulosus multidrug resistance protein 1 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 japonicum Multidrug resistance protein 1, 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
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
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
Schistosoma japonicum Multidrug resistance protein 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
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
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0075 0.1102 0.1011
Echinococcus multilocularis BC026374 protein (S09 family) 0.0075 0.1102 0.1011
Plasmodium falciparum choline kinase 0.0345 0.7632 1
Brugia malayi Carboxylesterase family protein 0.0443 1 1
Onchocerca volvulus 0.0075 0.1102 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0997 0.0906
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Brugia malayi jmjC domain containing protein 0.0041 0.0283 0.0283
Brugia malayi jmjC domain containing protein 0.0111 0.1973 0.1973
Schistosoma mansoni BC026374 protein (S09 family) 0.0075 0.1102 0.1011
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0166 0.3301 1
Trypanosoma brucei choline kinase 0.0033 0.01 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0075 0.1102 0.1011
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0997 0.1306
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0166 0.3301 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0111 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Schistosoma mansoni acetylcholinesterase 0.0075 0.1102 0.1011
Brugia malayi Choline/ethanolamine kinase family protein 0.0345 0.7632 0.7632
Loa Loa (eye worm) hypothetical protein 0.0034 0.0111 0.0111
Brugia malayi Carboxylesterase family protein 0.0075 0.1102 0.1102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.2529 0.2529
Schistosoma mansoni gliotactin 0.0075 0.1102 0.1011
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.7498 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0075 0.1102 0.1011
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0696 0.0696
Loa Loa (eye worm) carboxylesterase 0.0075 0.1102 0.1102
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0283 0.0185
Loa Loa (eye worm) choline/ethanolamine kinase 0.0345 0.7632 0.7632
Brugia malayi Choline/ethanolamine kinase family protein 0.0033 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0111 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0111 0.0011
Schistosoma mansoni hypothetical protein 0.0034 0.0111 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Onchocerca volvulus 0.0075 0.1102 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.2197 0.2197
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0166 0.3301 1
Treponema pallidum fructose-bisphosphate aldolase 0.0339 0.7498 0.5
Brugia malayi Choline/ethanolamine kinase family protein 0.0033 0.01 0.01
Toxoplasma gondii phosphotransferase enzyme family protein 0.0033 0.01 0.0131
Leishmania major choline kinase 0.0033 0.01 0.1006
Loa Loa (eye worm) acetylcholinesterase 1 0.0443 1 1
Loa Loa (eye worm) choline/ethanolamine kinase 0.0033 0.01 0.01
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0075 0.1102 0.1011
Echinococcus multilocularis acetylcholinesterase 0.0443 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0075 0.1102 0.1354
Echinococcus multilocularis acetylcholinesterase 0.0443 1 1
Echinococcus granulosus acetylcholinesterase 0.0443 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0075 0.1102 0.1011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Trypanosoma cruzi choline kinase 0.0033 0.01 1
Echinococcus multilocularis peregrin 0.0034 0.0111 0.0011
Brugia malayi Bromodomain containing protein 0.0034 0.0111 0.0111
Schistosoma mansoni calcium-activated potassium channel 0.0321 0.7059 0.703
Onchocerca volvulus Alhambra homolog 0.0034 0.0111 0.0105
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Giardia lamblia PHD finger protein 15 0.0034 0.0111 0.0014
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0997 0.0906
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0997 1
Plasmodium falciparum ethanolamine kinase 0.0033 0.01 0.0131
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0283 0.0185
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.1973 0.1892
Echinococcus multilocularis para nitrobenzyl esterase 0.0075 0.1102 0.1011
Echinococcus granulosus acetylcholinesterase 0.0443 1 1
Schistosoma mansoni hypothetical protein 0.0321 0.7059 0.703
Plasmodium vivax ethanolamine kinase, putative 0.0033 0.01 0.0131
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0431 0.0334
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0431 0.0334
Giardia lamblia Fructose-bisphosphate aldolase 0.0339 0.7498 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0054 0.0604 0.0604
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.7498 1
Plasmodium falciparum phd finger protein, putative 0.0034 0.0111 0.0145
Loa Loa (eye worm) carboxylesterase 0.0443 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0075 0.1102 0.0454
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0997 0.0906
Echinococcus multilocularis small conductance calcium activated potassium 0.0321 0.7059 0.703
Trichomonas vaginalis spcc417.12 protein, putative 0.0075 0.1102 0.1354
Echinococcus multilocularis carboxylesterase 5A 0.0443 1 1
Echinococcus granulosus small conductance calcium activated potassium 0.0321 0.7059 0.703
Echinococcus granulosus choline:ethanolamine kinase 0.0345 0.7632 0.7608
Loa Loa (eye worm) carboxylesterase 0.0075 0.1102 0.1102
Plasmodium vivax choline kinase, putative 0.0345 0.7632 1
Echinococcus granulosus peregrin 0.0034 0.0111 0.0011
Brugia malayi PHD-finger family protein 0.0034 0.0111 0.0111
Echinococcus multilocularis neuroligin 0.0075 0.1102 0.1011
Mycobacterium ulcerans carboxylesterase, LipT 0.0075 0.1102 0.0454
Echinococcus multilocularis choline:ethanolamine kinase 0.0345 0.7632 0.7608
Schistosoma mansoni jumonji domain containing protein 0.0088 0.1422 0.1335
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0283 0.0185
Trypanosoma brucei choline/ethanolamine kinase 0.0033 0.01 1
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0033 0.01 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0283 0.0185
Loa Loa (eye worm) choline Kinase A 0.0033 0.01 0.01
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0111 0.0145
Loa Loa (eye worm) hypothetical protein 0.0075 0.1102 0.1102
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0075 0.1102 0.0454
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0111 0.0111
Leishmania major choline/ethanolamine kinase, putative 0.0033 0.01 0.1006
Loa Loa (eye worm) hypothetical protein 0.0321 0.7059 0.7059
Mycobacterium tuberculosis Carboxylesterase LipT 0.0075 0.1102 0.0454
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0443 1 1
Brugia malayi Carboxylesterase family protein 0.0075 0.1102 0.1102
Brugia malayi hypothetical protein 0.0075 0.1102 0.1102
Brugia malayi Carboxylesterase family protein 0.0075 0.1102 0.1102
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0111 0.0145
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0283 0.0283
Brugia malayi Carboxylesterase family protein 0.0075 0.1102 0.1102
Onchocerca volvulus 0.0075 0.1102 1
Schistosoma mansoni calcium-activated potassium channel 0.0254 0.5433 0.5386
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.7498 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0443 1 1
Echinococcus granulosus neuroligin 0.0075 0.1102 0.1011
Onchocerca volvulus 0.0075 0.1102 1
Echinococcus granulosus BC026374 protein S09 family 0.0075 0.1102 0.1011
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.1973 0.1892
Echinococcus granulosus carboxylesterase 5A 0.0443 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0075 0.1102 0.1011
Toxoplasma gondii phosphotransferase enzyme family protein 0.0033 0.01 0.0131
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0997 0.0906
Onchocerca volvulus 0.0075 0.1102 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0111 0.0145
Toxoplasma gondii phosphotransferase enzyme family protein 0.0345 0.7632 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0075 0.1102 0.1011

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of ABCB1 in human Caco-2 cells assessed as ATPase activation at 100 uM after 2 hrs ChEMBL. 19053888
IC50 (binding) = 0.2 uM Inhibition of ABCB1-mediated [3H]vinblastine transportation in human Caco-2 cells ChEMBL. 19053888
IC50 (binding) = 1.17 uM Inhibition of ABCB1 transfected in MDCK cells assessed as increase in calcein-AM accumulation ChEMBL. 19053888
Inhibition (binding) = 16 % Inhibition of ABCG2 in human Caco-2 cells assessed as [3H]mithoxatrone accumulation at 100 uM ChEMBL. 19053888
Ki (binding) = 558 uM Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in human HeLa cells ChEMBL. 19053888
Ki (binding) = 854 uM Displacement of [3H]spiroperidol from human cloned dopaminergic D2 receptor expressed in rat C6 cells ChEMBL. 19053888

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.