Detailed information for compound 1611605

Basic information

Technical information
  • TDR Targets ID: 1611605
  • Name: 2,5-dimethyl-N-[(2-morpholin-4-yl-4-phenyl-1, 3-thiazol-5-yl)methylideneamino]furan-3-carbo xamide
  • MW: 410.489 | Formula: C21H22N4O3S
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1oc(c(c1)C(=O)N/N=C/c1sc(nc1c1ccccc1)N1CCOCC1)C
  • InChi: 1S/C21H22N4O3S/c1-14-12-17(15(2)28-14)20(26)24-22-13-18-19(16-6-4-3-5-7-16)23-21(29-18)25-8-10-27-11-9-25/h3-7,12-13H,8-11H2,1-2H3,(H,24,26)/b22-13+
  • InChiKey: FVHPNKJVBKJTFS-LPYMAVHISA-N  


Substructure search Similarity search

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Synonyms

  • 2,5-dimethyl-N-[(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]furan-3-carboxamide
  • 2,5-dimethyl-N-[(2-morpholino-4-phenyl-5-thiazolyl)methyleneamino]-3-furancarboxamide
  • 2,5-dimethyl-N-[(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-3-furamide
  • MLS000516586
  • SMR000342755
  • T0514-8354

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, 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
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis GTP-binding nuclear protein Ran 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
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis 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 Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis Importin beta-1 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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense 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 mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi GTP-binding nuclear protein rtb2, 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 Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Echinococcus granulosus GTP binding nuclear protein 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
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi importin beta-1 subunit, 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 mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0361 0.0461
Echinococcus granulosus snurportin 1 0.0372 0.3619 0.4612
Leishmania major carboxylase, putative 0.0295 0.2813 0.3584
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0105 0.0817 0.1041
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0105 0.0817 0.172
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0067 0.0415 0.0529
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0094 0.012
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0295 0.2813 0.2813
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.008 0.0102
Trichomonas vaginalis set domain proteins, putative 0.0286 0.272 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0774 0.7847 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0105 0.0817 0.2905
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0067 0.0415 0.1476
Leishmania major acetyl-CoA carboxylase, putative 0.0774 0.7847 1
Brugia malayi MAP kinase sur-1 0.0062 0.0361 0.0478
Brugia malayi Importin beta-1 subunit 0.0035 0.0081 0.0107
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0552 0.0731
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0105 0.0817 0.1041
Schistosoma mansoni importin beta-1 0.0035 0.0081 0.0103
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0105 0.0817 0.2905
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0124
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0485 0.0618
Trypanosoma brucei protein kinase, putative 0.0062 0.0361 0.0461
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0552 0.0704
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0295 0.2813 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0485 0.1725
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0094 0.012
Plasmodium falciparum importin beta, putative 0.0035 0.0081 0.0144
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0067 0.0415 0.0874
Mycobacterium ulcerans pyruvate carboxylase 0.0295 0.2813 1
Echinococcus multilocularis snurportin 1 0.0372 0.3619 0.3619
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0105 0.0817 0.2905
Brugia malayi RNA, U transporter 1 0.0099 0.0755 0.0999
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0747 0.7562 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.02 0.02
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0105 0.0817 0.2905
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0094 0.0094
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0105 0.0817 0.1041
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0361 0.1292
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0295 0.2813 0.3584
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.056 0.56 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0295 0.2813 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0774 0.7847 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0295 0.2813 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0361 0.0761
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0361 0.0761
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0067 0.0415 0.0742
Brugia malayi Pre-SET motif family protein 0.0251 0.2355 0.3114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0485 0.1725
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0105 0.0817 0.2905
Schistosoma mansoni hypothetical protein 0.0372 0.3619 0.4612
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0132 0.1102 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0105 0.0817 0.172
Schistosoma mansoni hypothetical protein 0.0205 0.1864 0.2376
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0105 0.0817 0.3233
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0067 0.0415 0.1476
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0105 0.0817 0.2905
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0094 0.012
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0361 0.0461
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0295 0.2813 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0361 0.0361
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0552 0.1163
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.056 0.56 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0105 0.0817 0.2905
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0361 0.0361
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0295 0.2813 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0067 0.0415 0.0529
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0105 0.0817 0.2905
Schistosoma mansoni hypothetical protein 0.0205 0.1864 0.2376
Toxoplasma gondii pyruvate carboxylase 0.0295 0.2813 0.3584
Onchocerca volvulus 0.0286 0.272 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0774 0.7847 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0295 0.2813 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0105 0.0817 0.172
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0295 0.2813 0.5922
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0105 0.0817 0.2905
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0774 0.7847 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0012 0.0025
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0081 0.0081
Trypanosoma brucei unspecified product 0.0194 0.1751 0.2232
Plasmodium vivax SET domain protein, putative 0.0036 0.0094 0.0167
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0361 0.0461
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0485 0.1725
Echinococcus multilocularis geminin 0.0205 0.1864 0.1864
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0094 0.012
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0105 0.0817 0.0817
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0295 0.2813 0.3584
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0295 0.2813 0.5922
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0361 0.0761
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0094 0.0094
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0067 0.0415 0.0529
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0485 0.0618
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0552 0.0731
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0105 0.0817 0.1041
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0105 0.0817 0.1041
Brugia malayi Pre-SET motif family protein 0.0036 0.0094 0.0124
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0361 0.1292
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0361 0.0461
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0105 0.0817 0.2905
Leishmania major carbamoyl-phosphate synthase, putative 0.0067 0.0415 0.0529
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0552 0.1163
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3619 0.4786
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0105 0.0817 0.2905
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0552 0.0552
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0295 0.2813 0.3584
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0081 0.0103
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0067 0.0415 0.0874
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0295 0.2813 0.3584
Loa Loa (eye worm) hypothetical protein 0.0035 0.0081 0.0107
Toxoplasma gondii carbamoylphosphate synthetase 0.0067 0.0415 0.0529
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0105 0.0817 0.1041
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0081 0.0103
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0105 0.0817 0.2905
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0361 0.0461
Plasmodium falciparum carbamoyl phosphate synthetase 0.0067 0.0415 0.0742
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0485 0.0485
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2355 0.3114
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0094 0.012
Plasmodium vivax importin-beta 2, putative 0.0035 0.0081 0.0144
Echinococcus granulosus geminin 0.0205 0.1864 0.2376
Leishmania major importin beta-1 subunit, putative 0.0028 0.0012 0.0015
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0552 0.496
Brugia malayi Carboxyl transferase domain containing protein 0.0747 0.7562 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0295 0.2813 0.3584
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0485 0.0618
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0774 0.7847 0.7847
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0552 0.0704
Treponema pallidum pyruvate carboxylase subunit B 0.0027 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0361 0.0761
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0081 0.0103
Schistosoma mansoni pyruvate carboxylase 0.0295 0.2813 0.3584
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0485 0.0618
Echinococcus granulosus importin subunit beta 1 0.0035 0.0081 0.0103
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0552 0.0704
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0132 0.1102 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.02 0.0255
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0361 0.0461
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0361 0.0478
Chlamydia trachomatis biotin carboxylase 0.0268 0.2528 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0479 0.475 1
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0774 0.7847 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0295 0.2813 0.3584
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0552 0.0704
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0295 0.2813 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0094 0.012
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0361 0.0461
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0485 0.1725
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0361 0.1292
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0361 0.1292
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0067 0.0415 0.0529
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0485 0.0618

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.0079 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 7.0795 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) 9.285 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) 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) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) = 15.8489 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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 (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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