Detailed information for compound 1449104

Basic information

Technical information
  • TDR Targets ID: 1449104
  • Name: 5-furan-3-yl-N-(pyridin-3-ylmethyl)pyrimidin- 4-amine
  • MW: 252.271 | Formula: C14H12N4O
  • H donors: 1 H acceptors: 3 LogP: 1.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)CNc1ncncc1c1ccoc1
  • InChi: 1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18)
  • InChiKey: UYNFBWJVKAADQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3-furyl)-N-(3-pyridylmethyl)pyrimidin-4-amine
  • 5-(3-furyl)-N-(3-pyridylmethyl)-4-pyrimidinamine
  • [5-(3-furyl)pyrimidin-4-yl]-(3-pyridylmethyl)amine
  • NCGC00010878
  • PCOP-292356

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0064 0.1888 0.724
Loa Loa (eye worm) glutaminase 0.0291 1 1
Echinococcus multilocularis expressed protein 0.0036 0.0891 0.316
Trypanosoma brucei unspecified product 0.0039 0.1013 0.3805
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.0248 0.017
Echinococcus multilocularis RUN 0.0024 0.0471 0.1524
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.1263 0.4754
Trypanosoma brucei DNA polymerase IV, putative 0.0085 0.2647 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0334 0.0256
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0013 0.008 0.0274
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0543 0.2057
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0.0009 0.5
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0036 0.0891 0.0891
Loa Loa (eye worm) hypothetical protein 0.0024 0.0471 0.0471
Entamoeba histolytica hypothetical protein 0.0038 0.0989 0.4074
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0334 0.0334
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0457 0.0457
Schistosoma mansoni lipoxygenase 0.0024 0.0471 0.0395
Leishmania major cytochrome p450-like protein 0.0023 0.0457 0.1725
Schistosoma mansoni lipoxygenase 0.0067 0.1997 0.1933
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0.008 0.0319
Mycobacterium leprae Conserved hypothetical protein 0.0013 0.008 0.5
Schistosoma mansoni loxhd1 0.0024 0.0471 0.0395
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2235 0.2172
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.0248 0.1077
Leishmania major cytochrome p450-like protein 0.0013 0.008 0.0274
Trypanosoma cruzi DNA polymerase kappa, putative 0.0085 0.2647 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.008 0.0269
Brugia malayi Cytochrome P450 family protein 0.0036 0.09 0.0827
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0085 0.2647 0.2225
Echinococcus multilocularis dna polymerase eta 0.0084 0.2605 0.9835
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1215 0.4574
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2235 0.2172
Mycobacterium ulcerans DNA polymerase IV 0.0085 0.2647 0.2588
Trypanosoma cruzi DNA polymerase kappa, putative 0.0085 0.2647 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0248 0.0909
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0612 0.2709
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0471 0.1524
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1888 0.7123
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.1215 0.5421
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0248 0.0909
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0612 0.2323
Loa Loa (eye worm) cytochrome P450 0.0013 0.008 0.008
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.1997 0.7469
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0471 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0891 0.0368
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.0982 0.091
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0787 1
Trichomonas vaginalis glutaminase, putative 0.0291 1 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0334 0.0961
Brugia malayi Flap endonuclease-1 0.0028 0.0612 0.0536
Schistosoma mansoni flap endonuclease-1 0.0025 0.0517 0.044
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0773 0.3435
Mycobacterium ulcerans glutaminase 0.0291 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.209 0.9331
Brugia malayi hypothetical protein 0.0038 0.0989 0.0916
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0248 0.0909
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0334 0.0989
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0471 0.4135
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.0499 0.2202
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0457 0.1698
Echinococcus multilocularis bloom syndrome protein 0.0048 0.1344 0.4926
Trypanosoma brucei DNA polymerase eta, putative 0.0084 0.2605 0.9839
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0064 0.1888 0.8393
Schistosoma mansoni DNA helicase recq1 0.002 0.0334 0.0256
Schistosoma mansoni hypothetical protein 0.0024 0.0471 0.0395
Brugia malayi ImpB/MucB/SamB family protein 0.0084 0.2605 0.2545
Schistosoma mansoni hypothetical protein 0.0038 0.0989 0.0916
Mycobacterium leprae putative cytochrome p450 0.0013 0.008 0.5
Schistosoma mansoni glutaminase 0.0291 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0334 0.0256
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.008 0.0269
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0035 0.0861 0.3231
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0457 0.038
Echinococcus multilocularis dna polymerase kappa 0.0085 0.2647 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.1263 0.4754
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.209 0.7831
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2235 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0612 0.0073
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0861 0.3231
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0989 0.3541
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0035 0.0861 0.3284
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0057 0.1638 0.6068
Trypanosoma cruzi DNA polymerase eta, putative 0.0084 0.2605 0.9839
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0612 0.2286
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0248 0.0909
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0471 0.1524
Schistosoma mansoni terminal deoxycytidyl transferase 0.0057 0.1638 0.1571
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2235 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0057 0.1638 0.1638
Leishmania major DNA damage repair protein, putative 0.0018 0.0248 0.0924
Leishmania major cytochrome p450-like protein 0.0013 0.008 0.0274
Schistosoma mansoni polycystin 1-related 0.0024 0.0471 0.0395
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0543 0.2024
Echinococcus granulosus bloom syndrome protein 0.0048 0.1344 0.4926
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1924 0.1924
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Echinococcus granulosus RUN 0.0024 0.0471 0.1524
Schistosoma mansoni DNA helicase recq5 0.002 0.0334 0.0256
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0248 0.0909
Trichomonas vaginalis rotamase, putative 0.0036 0.0891 0.0368
Brugia malayi Bloom's syndrome protein homolog 0.0048 0.1344 0.1275
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0861 0.3231
Brugia malayi polk-prov protein 0.0046 0.1258 0.1188
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0457 0.1698
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0612 0.063
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0057 0.1638 0.6068
Echinococcus granulosus dna polymerase kappa 0.0085 0.2647 1
Schistosoma mansoni DNA polymerase eta 0.0084 0.2605 0.2545
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.209 0.2027
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0612 0.2072
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.1135 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2235 0.2172
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Leishmania major DNA polymerase kappa, putative 0.0064 0.1888 0.724
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0036 0.0891 0.0818
Trichomonas vaginalis DNA polymerase eta, putative 0.0085 0.2647 0.2225
Echinococcus granulosus expressed protein 0.0036 0.0891 0.316
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.209 0.8019
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0334 0.0989
Loa Loa (eye worm) hypothetical protein 0.0046 0.1258 0.1258
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0457 0.0457
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0471 0.1524
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.1263 0.4754
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0248 0.0909
Brugia malayi Cytochrome P450 family protein 0.0023 0.0457 0.038
Leishmania major DNA polymerase eta, putative 0.0084 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0471 0.0471
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0035 0.0861 0.2908
Trypanosoma cruzi DNA polymerase kappa, putative 0.0085 0.2647 1
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0861 0.383
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2235 0.8574
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0989 0.3541
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0471 0.1524
Schistosoma mansoni rotamase 0.0036 0.0891 0.0818
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0612 0.2286
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0612 0.2215
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2235 0.2172
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0457 0.1698
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2235 0.8393
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0334 0.052
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.008 0.0269
Entamoeba histolytica hypothetical protein 0.0038 0.0989 0.4074
Loa Loa (eye worm) hypothetical protein 0.0147 0.4856 0.4856
Onchocerca volvulus 0.0024 0.0471 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.008 0.0269
Leishmania major DNA polymerase eta, putative 0.0045 0.1215 0.4648
Brugia malayi hypothetical protein 0.0024 0.0471 0.0395
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0471 0.1524
Trichomonas vaginalis rotamase, putative 0.0035 0.0861 0.0337
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.209 0.7831
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0248 0.0909
Onchocerca volvulus 0.0024 0.0471 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0085 0.2647 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0543 0.2024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2235 0.2172
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.209 0.2027
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.1258 0.4734
Plasmodium falciparum flap endonuclease 1 0.0028 0.0612 0.4096
Echinococcus granulosus flap endonuclease 1 0.0028 0.0612 0.2072
Echinococcus granulosus dna polymerase eta 0.0084 0.2605 0.9835
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.09 0.09
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.1258 0.4734
Brugia malayi ImpB/MucB/SamB family protein 0.0057 0.1638 0.1571
Schistosoma mansoni rab6-interacting 0.0024 0.0471 0.0395
Trypanosoma brucei unspecified product 0.0039 0.1013 0.3805
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0334 0.146
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Entamoeba histolytica hypothetical protein 0.0038 0.0989 0.4074
Giardia lamblia DINP protein human, muc B family 0.0064 0.1888 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0334 0.0989
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.209 0.2027
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0989 0.0916
Trypanosoma brucei unspecified product 0.0078 0.2397 0.9051
Mycobacterium ulcerans DNA polymerase IV 0.0085 0.2647 0.2588
Schistosoma mansoni rab6-interacting 0.0024 0.0471 0.0395
Mycobacterium ulcerans hypothetical protein 0.0018 0.0248 0.017
Entamoeba histolytica hypothetical protein 0.0038 0.0989 0.4074
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0612 0.0612
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0457 0.0457
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.1997 0.7469
Entamoeba histolytica deoxycytidyl transferase, putative 0.0057 0.1638 1
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0471 0.2511
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.209 0.2027
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2235 0.8393
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0248 0.0909
Brugia malayi Cytochrome P450 family protein 0.0023 0.0457 0.038
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0057 0.1638 0.1571
Trichomonas vaginalis DNA helicase recq, putative 0.0048 0.1344 0.0848
Trichomonas vaginalis DNA helicase recq1, putative 0.0048 0.1344 0.0848
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0471 0.1524
Loa Loa (eye worm) glutaminase 2 0.0291 1 1
Brugia malayi Doublecortin family protein 0.0024 0.0471 0.0395
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.0248 0.0909
Brugia malayi hypothetical protein 0.0024 0.0471 0.0395
Leishmania major DNA polymerase kappa, putative 0.0018 0.0248 0.0924
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.2647 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0334 0.0989
Mycobacterium tuberculosis Conserved hypothetical protein 0.0057 0.1638 0.723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0334 0.146
Trypanosoma brucei DNA polymerase IV, putative 0.0078 0.2397 0.9051
Trypanosoma brucei DNA polymerase IV, putative 0.0085 0.2647 1
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0612 0.6745
Loa Loa (eye worm) RecQ helicase 0.0048 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.002 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0084 0.2605 0.2605

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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