Detailed information for compound 921268

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.375 | Formula: C21H18F2N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1C(=O)Nc1ccc(cn1)c1cc(F)cc(c1)F)OC
  • InChi: 1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)
  • InChiKey: UAVLUPLFJPDQJN-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
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
Echinococcus multilocularis multidrug resistance protein 1 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 abcb9, 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
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
Trichomonas vaginalis multidrug resistance protein 1, 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
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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 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
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
Echinococcus granulosus multidrug resistance protein 1 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
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 multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Schistosoma japonicum Multidrug resistance protein 3, 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 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
Leishmania mexicana p-glycoprotein 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
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
Loa Loa (eye worm) 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
Entamoeba histolytica P-glycoprotein-2 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) ATP-binding cassette sub-family B member 2 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 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, 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
Cryptosporidium parvum ATP-binding cassette transporter 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
Trichomonas vaginalis ATP-binding cassette transporter, 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
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
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
Leishmania major p-glycoprotein 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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 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 taga, 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
Schistosoma japonicum ATP-binding cassette sub-family B member 5, 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
Schistosoma mansoni smdr2 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 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 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
Neospora caninum hypothetical protein 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
Entamoeba histolytica P-glyco protein 6, 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
Leishmania infantum 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
Brugia malayi ABC transporter family protein 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, putative 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
Schistosoma japonicum Multidrug resistance protein 1, 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
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
Loa Loa (eye worm) hypothetical protein 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 multidrug resistance protein 1, 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
Loa Loa (eye worm) multidrug resistance protein 3 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 ABC transporter, half transporter, 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
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 ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, 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 multidrug resistance protein 1, 2, 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
Entamoeba histolytica P-glycoprotein 5, 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 lipid A export ATP-binding/permease protein msba, putative 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 abcb9, 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
Entamoeba histolytica P-glycoprotein-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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0148 0.047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1409 0.1717
Brugia malayi TAR-binding protein 0.0063 0.2083 0.2635
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0148 0.047
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0148 0.0198
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0148 0.0198
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Chlamydia trachomatis dihydrofolate reductase 0.0203 0.7493 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0269 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0148 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2083 0.2635
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2083 0.2635
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0269 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2083 0.2635
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0391 0.0331
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0148 0.0007
Mycobacterium tuberculosis Hypothetical protein 0.0091 0.3153 0.4091
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2083 0.2635
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0269 1 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0148 0.047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1409 0.1717
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0191 0.7004 0.9335
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0148 0.047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1409 0.1881
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0391 0.0338
Brugia malayi thymidylate synthase 0.0191 0.7004 0.9335
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0148 0.0198
Brugia malayi dihydrofolate reductase family protein 0.0203 0.7493 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2083 0.2781
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0391 0.124
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Loa Loa (eye worm) hypothetical protein 0.0013 0.0148 0.0007
Brugia malayi RNA binding protein 0.0063 0.2083 0.2635
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0391 0.0246
Loa Loa (eye worm) hypothetical protein 0.0013 0.0148 0.0007
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0148 0.0198
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1409 0.1881
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0391 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0148 0.0198
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0203 0.7493 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0091 0.3153 0.2874
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0391 0.0522
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0148 0.0198
Schistosoma mansoni dihydrofolate reductase 0.0203 0.7493 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1409 0.1881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1409 0.1881
Echinococcus multilocularis thymidylate synthase 0.0191 0.7004 0.9348
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0148 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1409 0.1717
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0148 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Echinococcus multilocularis dihydrofolate reductase 0.0203 0.7493 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0191 0.7004 0.9335
Mycobacterium ulcerans thymidylate synthase 0.0191 0.7004 0.9312
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0269 1 1
Brugia malayi hypothetical protein 0.0091 0.3153 0.4091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1409 0.1717
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0391 0.0331
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0143 0.019
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Echinococcus granulosus dihydrofolate reductase 0.0203 0.7493 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0148 0.0007
Loa Loa (eye worm) RNA binding protein 0.0063 0.2083 0.264
Brugia malayi Dihydrofolate reductase 0.0203 0.7493 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0391 0.0522
Trichomonas vaginalis taga, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0148 0.047
Onchocerca volvulus 0.0191 0.7004 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.3153 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0148 0.047
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0391 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2083 0.264
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0148 0.047
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0148 0.047
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0143 0.019
Loa Loa (eye worm) thymidylate synthase 0.0191 0.7004 0.9336
Trichomonas vaginalis abcb9, putative 0.0013 0.0148 0.047
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0203 0.7493 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0391 0.0246
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0148 0.0198
Trichomonas vaginalis abcb9, putative 0.0013 0.0148 0.047
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0391 0.0246
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0148 0.047
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0391 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0148 0.047
Toxoplasma gondii exonuclease III APE 0.0019 0.0391 0.0246
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Loa Loa (eye worm) dihydrofolate reductase 0.0203 0.7493 1
Schistosoma mansoni ap endonuclease 0.0019 0.0391 0.0331
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0269 1 1
Echinococcus granulosus thymidylate synthase 0.0191 0.7004 0.9348
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0391 0.124
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2083 0.2635
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0148 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0148 0.047
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0148 0.0198
Schistosoma mansoni ap endonuclease 0.0019 0.0391 0.0331
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0148 0.0198
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0391 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0148 0.047
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2083 0.2635
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2083 0.264
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0148 0.047
Echinococcus granulosus tar DNA binding protein 0.0063 0.2083 0.2781
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0203 0.7493 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1409 0.1723
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0148 0.0198

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.97 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
Inhibition (binding) Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 2 hrs by bioluminescent ATP 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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