Detailed information for compound 1386250

Basic information

Technical information
  • TDR Targets ID: 1386250
  • Name: methyl 4-(4-fluorophenyl)-1-propan-2-ylpyrrol o[4,5-b]pyrrole-2-carboxylate
  • MW: 300.327 | Formula: C17H17FN2O2
  • H donors: 0 H acceptors: 1 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1C(C)C)ccn2c1ccc(cc1)F
  • InChi: 1S/C17H17FN2O2/c1-11(2)20-14-8-9-19(13-6-4-12(18)5-7-13)15(14)10-16(20)17(21)22-3/h4-11H,1-3H3
  • InChiKey: SJIAZPZGRTXILG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-(4-fluorophenyl)-1-isopropyl-pyrrolo[4,5-b]pyrrole-2-carboxylate
  • 4-(4-fluorophenyl)-1-isopropyl-2-pyrrolo[4,5-b]pyrrolecarboxylic acid methyl ester
  • 4-(4-fluorophenyl)-1-isopropyl-pyrrolo[4,5-b]pyrrole-2-carboxylic acid methyl ester
  • methyl 4-(4-fluorophenyl)-1-propan-2-yl-pyrrolo[4,5-b]pyrrole-2-carboxylate
  • ASN 09874306
  • 4-(4-Fluoro-phenyl)-1-isopropyl-1,4-dihydro-pyrrolo[3,2-b]pyrrole-2-carboxylic acid methyl ester
  • MLS000529571
  • SMR000122046
  • ZINC01238115

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major casein kinase II, putative 0.0424 0.4121 1
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Leishmania major GTP-binding protein, putative 0.0026 0.003 0.0073
Toxoplasma gondii CMGC kinase, CK2 family 0.0424 0.4121 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Entamoeba histolytica casein kinase, putative 0.0424 0.4121 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0228 0.2104 0.5106
Schistosoma mansoni hypothetical protein 0.0205 0.1867 0.1867
Trichomonas vaginalis ran, putative 0.0026 0.003 0.0073
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0057 0.0138
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.003 0.0073
Trypanosoma brucei Casein kinase II 0.0424 0.4121 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Giardia lamblia Casein kinase II beta chain 0.0067 0.045 0.1091
Trypanosoma cruzi casein kinase II, putative 0.0424 0.4121 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0057 0.0138
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.003 0.0073
Brugia malayi Casein kinase II, alpha chain 0.0424 0.4121 0.4121
Schistosoma mansoni serine/threonine protein kinase 0.0997 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Schistosoma mansoni protein kinase 0.0424 0.4121 0.4121
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0997 1 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0057 0.0138
Echinococcus granulosus CDC7 cell division cycle 7 0.0416 0.4039 0.4039
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Echinococcus multilocularis snurportin 1 0.0372 0.3581 0.3581
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0997 1 1
Onchocerca volvulus 0.0416 0.4039 0.2451
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0424 0.4121 0.4121
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0067 0.045 0.1091
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0997 1 1
Brugia malayi Protein kinase domain containing protein 0.0416 0.4039 0.4039
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0067 0.045 0.1091
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Echinococcus granulosus snurportin 1 0.0372 0.3581 0.3581
Plasmodium falciparum casein kinase II beta chain 0.0228 0.2104 0.5106
Loa Loa (eye worm) casein kinase II 0.0067 0.045 0.045
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0057 0.0138
Brugia malayi RNA, U transporter 1 0.0099 0.0783 0.0783
Giardia lamblia Kinase, CDC7 0.0416 0.4039 0.9802
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0091 0.0091
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0057 0.0138
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Echinococcus multilocularis CDC7 cell division cycle 7 0.0416 0.4039 0.4039
Entamoeba histolytica Ran family GTPase 0.0026 0.003 0.0073
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0228 0.2104 0.5106
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0228 0.2104 0.5106
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.003 0.0073
Plasmodium vivax casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.003 0.0073
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0228 0.2104 0.5106
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0997 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.003 0.0073
Schistosoma mansoni ran 0.0026 0.003 0.003
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0997 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Entamoeba histolytica protein kinase domain containing protein 0.0424 0.4121 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3581 0.3581
Plasmodium falciparum casein kinase 2, alpha subunit 0.0424 0.4121 1
Loa Loa (eye worm) CDC7 protein kinase 0.0416 0.4039 0.4039
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0228 0.2104 0.5106
Plasmodium falciparum casein kinase II beta chain 0.0228 0.2104 0.5106
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0424 0.4121 1
Giardia lamblia Casein kinase II beta chain 0.0228 0.2104 0.5106
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0228 0.2104 0.5106
Echinococcus multilocularis casein kinase ii subunit alpha 0.0424 0.4121 0.4121
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0205 0.1867 0.1867
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.4039 0.9802
Schistosoma mansoni casein kinase II beta subunit 0.0228 0.2104 0.2104
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0124 0.0302
Schistosoma mansoni serine/threonine protein kinase 0.0416 0.4039 0.4039
Echinococcus granulosus geminin 0.0205 0.1867 0.1867
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Brugia malayi Csnk2b protein 0.0228 0.2104 0.2104
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0997 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Echinococcus multilocularis casein kinase ii subunit beta 0.0228 0.2104 0.2104
Plasmodium falciparum importin beta, putative 0.0035 0.0124 0.0302
Loa Loa (eye worm) Csnk2b protein 0.0228 0.2104 0.2104
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.003 0.0073
Plasmodium vivax unspecified product 0.0424 0.4121 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0124 0.0124
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Echinococcus granulosus casein kinase ii subunit beta 0.0228 0.2104 0.2104
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.003 0.0073
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.003 0.003
Plasmodium vivax casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0228 0.2104 0.5106
Brugia malayi Importin beta-1 subunit 0.0035 0.0124 0.0124
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0067 0.045 0.1091
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.4039 0.9802
Toxoplasma gondii ck2 beta subunit 0.0228 0.2104 0.5106
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Schistosoma mansoni importin beta-1 0.0035 0.0124 0.0124
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Brugia malayi casein kinase II, putaitve 0.0067 0.045 0.045
Echinococcus multilocularis geminin 0.0205 0.1867 0.1867
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Plasmodium vivax importin-beta 2, putative 0.0035 0.0124 0.0302
Trichomonas vaginalis CMGC family protein kinase 0.0416 0.4039 0.9802
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.003 0.003
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Echinococcus granulosus casein kinase ii subunit alpha 0.0424 0.4121 0.4121
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0372 0.3581 0.3581
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0067 0.045 0.1091
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Echinococcus granulosus importin subunit beta 1 0.0035 0.0124 0.0124
Schistosoma mansoni ran 0.0026 0.003 0.003
Onchocerca volvulus 0.0416 0.4039 0.2451
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0124 0.0302
Giardia lamblia Kinase, CMGC CK2 0.0424 0.4121 1
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0228 0.2104 0.5106
Trichomonas vaginalis casein kinase II beta chain, putative 0.0067 0.045 0.1091
Trichomonas vaginalis casein kinase II beta chain, putative 0.0228 0.2104 0.5106
Brugia malayi Cytochrome P450 family protein 0.0032 0.0091 0.0091
Entamoeba histolytica hypothetical protein 0.0028 0.0057 0.0138
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.003 0.003
Trichomonas vaginalis CMGC family protein kinase 0.0424 0.4121 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0124 0.0302

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) = 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) = 1.995262315 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
AC50 (functional) = 22.38721139 uM 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) = 25.11886432 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
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3109 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 11.6891 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 28.1838 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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