Detailed information for compound 1418988

Basic information

Technical information
  • TDR Targets ID: 1418988
  • Name: 2-phenylspiro[1,3-dioxane-5,3'-thiochroman]-4 '-one
  • MW: 312.383 | Formula: C18H16O3S
  • H donors: 0 H acceptors: 1 LogP: 2.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ccccc2SCC21COC(OC2)c1ccccc1
  • InChi: 1S/C18H16O3S/c19-16-14-8-4-5-9-15(14)22-12-18(16)10-20-17(21-11-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
  • InChiKey: KPLYKHKJNQKVSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-4'-spiro[1,3-dioxane-5,3'-thiochroman]one
  • 5E-920
  • ZINC01391206
  • Bionet2_001616
  • 3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one benzaldehyde acetal
  • MLS000539520
  • SMR000125178

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax multidrug resistance protein 1, putative 0.0795 0.9463 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0329 0.3219 0.3202
Schistosoma mansoni multidrug resistance protein 0.0795 0.9463 0.9452
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0253 0.2201 0.4038
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0495 0.545 1
Brugia malayi Pax transcription factor protein 2 0.0248 0.2134 0.2115
Leishmania major p-glycoprotein 0.0795 0.9463 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 0.2667 0.2509
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0795 0.9463 1
Brugia malayi multidrug resistance protein 3 0.0795 0.9463 0.9462
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0795 0.9463 0.9452
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 0.2667 0.2509
Schistosoma mansoni hypothetical protein 0.0407 0.4268 0.4145
Plasmodium falciparum multidrug resistance-associated protein 1 0.0253 0.2201 0.1725
Plasmodium vivax ABC transporter B family member 3, putative 0.0253 0.2201 0.1725
Echinococcus multilocularis ATP binding cassette sub family B 0.0253 0.2201 0.2033
Toxoplasma gondii ABC transporter, putative 0.0253 0.2201 0.2326
Brugia malayi MH2 domain containing protein 0.0528 0.589 0.5879
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0253 0.2201 0.2033
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0253 0.2201 0.2326
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 0.2667 0.2509
Echinococcus multilocularis 0.0253 0.2201 0.2033
Loa Loa (eye worm) RNA binding protein 0.0835 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0253 0.2201 0.5
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0253 0.2201 0.4038
Entamoeba histolytica P-glyco protein 6, putative 0.0795 0.9463 1
Schistosoma mansoni multidrug resistance protein 0.0253 0.2201 0.2033
Entamoeba histolytica P-glycoprotein 6, putative 0.0253 0.2201 0.0257
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Loa Loa (eye worm) hypothetical protein 0.0795 0.9463 0.9452
Echinococcus multilocularis tar DNA binding protein 0.0835 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9979 0.9979
Plasmodium falciparum multidrug resistance protein 2 0.0253 0.2201 0.1725
Schistosoma mansoni tar DNA-binding protein 0.0835 1 1
Trichomonas vaginalis ABC transporter, putative 0.0795 0.9463 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0253 0.2201 0.2326
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Entamoeba histolytica hypothetical protein 0.0253 0.2201 0.0257
Loa Loa (eye worm) multidrug resistance protein 3 0.0795 0.9463 0.9452
Giardia lamblia Multidrug resistance-associated protein 1 0.0253 0.2201 0.0589
Echinococcus granulosus ATP binding cassette sub family G 0.0495 0.545 0.5352
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0557 0.6272 0.5718
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0495 0.545 1
Loa Loa (eye worm) ABC transporter 0.0253 0.2201 0.2033
Loa Loa (eye worm) hypothetical protein 0.0253 0.2201 0.2033
Schistosoma mansoni ABC transporter 0.0421 0.446 0.4341
Echinococcus multilocularis ATP binding cassette sub family G 0.0495 0.545 0.5352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.2667 0.2509
Schistosoma mansoni multidrug resistance protein 0.0795 0.9463 0.9452
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 0.2201 0.0257
Entamoeba histolytica P-glycoprotein-2 0.0795 0.9463 1
Brugia malayi ABC transporter transmembrane region family protein 0.0238 0.2009 0.199
Brugia malayi ABC transporter family protein 0.0253 0.2201 0.2182
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0495 0.545 0.5759
Brugia malayi ABC transporter transmembrane region family protein 0.0253 0.2201 0.2182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.2667 0.2509
Loa Loa (eye worm) ABC transporter 0.0253 0.2201 0.2033
Loa Loa (eye worm) hypothetical protein 0.0225 0.1826 0.1651
Echinococcus granulosus ATP binding cassette sub family B 0.0238 0.2009 0.1838
Giardia lamblia ABC transporter 0.0481 0.5259 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0253 0.2201 0.0589
Brugia malayi TAR-binding protein 0.0835 1 1
Brugia malayi hypothetical protein 0.014 0.0687 0.0664
Entamoeba histolytica P-glycoprotein-5 0.0795 0.9463 1
Brugia malayi ABC transporter 0.0238 0.2009 0.199
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0253 0.2201 0.2326
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Plasmodium falciparum ABC transporter B family member 4, putative 0.0253 0.2201 0.1725
Loa Loa (eye worm) hypothetical protein 0.014 0.0687 0.0487
Trypanosoma brucei ABC transporter, putative 0.0495 0.545 1
Schistosoma mansoni smdr2 0.0795 0.9463 0.9452
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Echinococcus multilocularis ATP binding cassette sub family G 0.0495 0.545 0.5352
Trypanosoma cruzi PAB1-binding protein , putative 0.014 0.0687 0.126
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.2667 0.2509
Trichomonas vaginalis ABC transporter, putative 0.0795 0.9463 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0253 0.2201 0.2033
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Plasmodium vivax ABC transporter B family member 7, putative 0.0253 0.2201 0.1725
Loa Loa (eye worm) hypothetical protein 0.0795 0.9463 0.9452
Loa Loa (eye worm) ABC transporter 0.0421 0.446 0.4341
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0253 0.2201 0.2033
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0795 0.9463 1
Brugia malayi latrophilin 2 splice variant baaae 0.0225 0.1826 0.1806
Schistosoma mansoni multidrug resistance protein 0.0253 0.2201 0.2033
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Brugia malayi ABC transporter family protein 0.0253 0.2201 0.2182
Echinococcus multilocularis ATP binding cassette sub family B 0.0253 0.2201 0.2033
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0795 0.9463 1
Echinococcus granulosus tar DNA binding protein 0.0835 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0795 0.9463 0.9452
Entamoeba histolytica P-glycoprotein-2 0.0795 0.9463 1
Schistosoma mansoni tar DNA-binding protein 0.0835 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0253 0.2201 0.2033
Trichomonas vaginalis abcb9, putative 0.0795 0.9463 1
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0253 0.2201 0.4038
Loa Loa (eye worm) hypothetical protein 0.0253 0.2201 0.2033
Leishmania major pentamidine resistance protein 1 0.0253 0.2201 0.2326
Schistosoma mansoni multidrug resistance protein 0.0238 0.2009 0.1838
Plasmodium falciparum ABC transporter B family member 7, putative 0.0253 0.2201 0.1725
Entamoeba histolytica ABC transporter, putative 0.0495 0.545 0.4616
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9979 0.9979
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0253 0.2201 0.4038
Echinococcus granulosus ATP binding cassette sub family B 0.0253 0.2201 0.2033
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Echinococcus multilocularis multidrug resistance protein 1 0.0557 0.6272 0.6192
Toxoplasma gondii ABC transporter family protein 0.0253 0.2201 0.2326
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0253 0.2201 0.2033
Trichomonas vaginalis ABC transporter, putative 0.0795 0.9463 1
Plasmodium falciparum ABC transporter B family member 6, putative 0.0253 0.2201 0.1725
Toxoplasma gondii LsmAD domain-containing protein 0.014 0.0687 0.0726
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0253 0.2201 0.2033
Echinococcus granulosus multidrug resistance protein 1 0.0795 0.9463 0.9452
Schistosoma mansoni hypothetical protein 0.0225 0.1826 0.1651
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0253 0.2201 0.1725
Loa Loa (eye worm) transcription factor SMAD2 0.0528 0.589 0.5801
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0795 0.9463 0.9452
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0253 0.2201 0.2033
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0253 0.2201 0.0257
Plasmodium falciparum multidrug resistance protein 1 0.0795 0.9463 1
Trypanosoma cruzi ABC transporter, putative 0.0495 0.545 1
Giardia lamblia ABC transporter, putative 0.0253 0.2201 0.0589
Leishmania major hypothetical protein, conserved 0.014 0.0687 0.0726
Brugia malayi Latrophilin receptor protein 2 0.0104 0.0211 0.0186
Onchocerca volvulus 0.0795 0.9463 1
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0495 0.545 0.5759
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0795 0.9463 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0253 0.2201 0.0257
Loa Loa (eye worm) TAR-binding protein 0.0835 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0253 0.2201 0.4038
Echinococcus granulosus multidrug resistance protein 1 0.0557 0.6272 0.6192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0329 0.3219 0.3073
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0795 0.9463 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0795 0.9463 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0104 0.0211 0.0186
Entamoeba histolytica P-glycoprotein 5, putative 0.0795 0.9463 1
Schistosoma mansoni tar DNA-binding protein 0.0835 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0835 1 1
Trypanosoma brucei p-glycoprotein 0.0253 0.2201 0.4038
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0795 0.9463 1
Entamoeba histolytica ABC transporter, putative 0.0253 0.2201 0.0257
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 0.2201 0.0257
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 0.2201 0.0257
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0795 0.9463 0.9452
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0287 0.2667 0.2509
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0253 0.2201 0.1725
Echinococcus granulosus multidrug resistance protein 1 0.0795 0.9463 0.9452
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0795 0.9463 0.9452
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0253 0.2201 0.2326
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0495 0.545 0.5759
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0795 0.9463 0.9452
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0253 0.2201 0.4038
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0238 0.2009 0.1838
Trichomonas vaginalis ABC transporter, putative 0.0795 0.9463 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0253 0.2201 0.0257
Trichomonas vaginalis abcb9, putative 0.0795 0.9463 1
Onchocerca volvulus 0.0248 0.2134 0.1441
Echinococcus multilocularis ATP binding cassette sub family G 0.0495 0.545 0.5352
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0253 0.2201 0.2326
Loa Loa (eye worm) hypothetical protein 0.078 0.9272 0.9256
Loa Loa (eye worm) hypothetical protein 0.0155 0.09 0.0704
Brugia malayi P-glycoprotein-like protein 0.0253 0.2201 0.2182
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0795 0.9463 0.9452
Trypanosoma cruzi PAB1-binding protein , putative 0.014 0.0687 0.126
Plasmodium falciparum ABC transporter B family member 5, putative 0.0253 0.2201 0.1725
Brugia malayi multidrug resistance related protein 1 0.0253 0.2201 0.2182
Echinococcus multilocularis ATP binding cassette sub family B 0.0253 0.2201 0.2033
Schistosoma mansoni multidrug resistance protein 0.0795 0.9463 0.9452
Schistosoma mansoni smdr1 0.0253 0.2201 0.2033
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0253 0.2201 0.4038
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0795 0.9463 1
Plasmodium vivax ABC transporter B family member 5, putative 0.0253 0.2201 0.1725
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0795 0.9463 1
Brugia malayi hypothetical protein 0.0253 0.2201 0.2182
Brugia malayi ABC transporter family protein 0.0421 0.446 0.4446
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0495 0.545 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.3219 0.3073
Entamoeba histolytica multidrug resistance protein, putative 0.0253 0.2201 0.0257
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0795 0.9463 0.9452
Trichomonas vaginalis abcb9, putative 0.0795 0.9463 1
Echinococcus multilocularis ATP binding cassette sub family B 0.078 0.9272 0.9256
Echinococcus granulosus ATP binding cassette sub family G 0.0495 0.545 0.5352
Trypanosoma cruzi multidrug resistance protein E, putative 0.0253 0.2201 0.4038
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0253 0.2201 0.5
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0253 0.2201 0.2182
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0495 0.545 0.5352
Loa Loa (eye worm) hypothetical protein 0.0253 0.2201 0.2033
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0253 0.2201 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0287 0.2667 0.2649
Loa Loa (eye worm) hypothetical protein 0.0238 0.2009 0.1838
Echinococcus granulosus multidrug resistance associated protein 7 0.0253 0.2201 0.2033
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0253 0.2201 0.2326
Trichomonas vaginalis taga, putative 0.0795 0.9463 1
Leishmania major ABC-thiol transporter 0.0253 0.2201 0.2326
Trypanosoma brucei PAB1-binding protein , putative 0.014 0.0687 0.126
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0253 0.2201 0.4038
Brugia malayi ABC transporter family protein 0.0253 0.2201 0.2182
Entamoeba histolytica P-glycoprotein-1 0.0795 0.9463 1
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0407 0.4268 0.2847
Plasmodium falciparum ABC transporter G family member 2 0.0495 0.545 0.5428
Giardia lamblia MRP-like ABC transporter 0.0253 0.2201 0.0589
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9979 0.9979
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2539 0.0465
Echinococcus granulosus multidrug resistance protein 1 0.0795 0.9463 0.9452
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0795 0.9463 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0253 0.2201 0.2326
Echinococcus multilocularis multidrug resistance protein 1 0.0795 0.9463 0.9452
Schistosoma mansoni tar DNA-binding protein 0.0835 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0557 0.6272 0.6192
Brugia malayi ABC transporter 0.0253 0.2201 0.2182
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Plasmodium vivax multidrug resistance protein 2, putative 0.0253 0.2201 0.1725
Loa Loa (eye worm) ABC transporter 0.0253 0.2201 0.2033
Schistosoma mansoni multidrug resistance protein 0.0253 0.2201 0.2033
Loa Loa (eye worm) pax transcription factor protein 2 0.0248 0.2134 0.1965
Entamoeba histolytica P-glycoprotein-2, putative 0.0795 0.9463 1
Brugia malayi ABC transporter family protein 0.0795 0.9463 0.9462
Brugia malayi Calcitonin receptor-like protein seb-1 0.0329 0.3219 0.3202
Brugia malayi ABC transporter transmembrane region family protein 0.0253 0.2201 0.2182
Trypanosoma brucei ATP-binding cassette protein, putative 0.0495 0.545 1
Trypanosoma brucei multidrug resistance protein E 0.0253 0.2201 0.4038
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0495 0.545 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0253 0.2201 0.5
Plasmodium vivax ABC transporter G family member 2, putative 0.0495 0.545 0.5428
Brugia malayi hypothetical protein 0.0155 0.09 0.0878
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.078 0.9272 0.9256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 0.2667 0.2509
Echinococcus multilocularis multidrug resistance protein 1 0.0795 0.9463 0.9452
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0795 0.9463 0.9452
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0795 0.9463 0.9452
Plasmodium falciparum ABC transporter B family member 3, putative 0.0253 0.2201 0.1725
Echinococcus granulosus ATP binding cassette sub family G 0.0495 0.545 0.5352
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0795 0.9463 1
Leishmania major p-glycoprotein e 0.0253 0.2201 0.2326
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0795 0.9463 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0795 0.9463 1
Loa Loa (eye worm) hypothetical protein 0.0238 0.2009 0.1838
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0253 0.2201 0.2326
Brugia malayi RNA recognition motif domain containing protein 0.0835 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0795 0.9463 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0528 0.589 0.5801
Schistosoma mansoni tar DNA-binding protein 0.0835 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0253 0.2201 0.2326
Schistosoma mansoni multidrug resistance protein 0.0253 0.2201 0.2033
Schistosoma mansoni multidrug resistance protein 0.0253 0.2201 0.2033
Plasmodium vivax ABC transporter B family member 6, putative 0.0253 0.2201 0.1725
Plasmodium falciparum multidrug resistance-associated protein 2 0.0253 0.2201 0.1725
Plasmodium vivax ABC transporter B family member 4, putative 0.0253 0.2201 0.1725

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.2753 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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

No literature references available for this target.

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