Detailed information for compound 1301353

Basic information

Technical information
  • TDR Targets ID: 1301353
  • Name: MLS000325194
  • MW: 443.518 | Formula: C25H21N3O3S
  • H donors: 2 H acceptors: 3 LogP: 4.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1c(C(=O)C)c(C)nc2c1c1NC(NC(=O)c1s2)c1ccccc1
  • InChi: 1S/C25H21N3O3S/c1-13-18(14(2)29)19(15-9-11-17(31-3)12-10-15)20-21-22(32-25(20)26-13)24(30)28-23(27-21)16-7-5-4-6-8-16/h4-12,23,27H,1-3H3,(H,28,30)
  • InChiKey: NWGBDJCQZITLBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000161407
  • AO-799/42008001
  • 8-acetyl-9-(4-methoxyphenyl)-7-methyl-2-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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 geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) cytochrome P450 family protein 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
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like 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
Loa Loa (eye worm) CYP4Cod1 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0045 0.0132 0.0233
Brugia malayi hypothetical protein 0.0188 0.1026 0.1026
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0111 0.0545 0.1093
Schistosoma mansoni Smad4 0.005 0.0163 0.0297
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0474 0.2812 1
Brugia malayi MH1 domain containing protein 0.0111 0.0545 0.0545
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0058 0.0058
Brugia malayi MH1 domain containing protein 0.0061 0.0236 0.0236
Plasmodium vivax ataxin-2 like protein, putative 0.0105 0.0509 0.1752
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0474 0.2812 0.5809
Echinococcus granulosus nibrin 0.0074 0.0318 0.062
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0027 0.002 0.0395
Brugia malayi isocitrate dehydrogenase 0.0033 0.0058 0.0058
Leishmania major hypothetical protein, conserved 0.0105 0.0509 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0074 0.0318 0.1068
Trypanosoma brucei PAB1-binding protein , putative 0.0105 0.0509 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0074 0.0318 0.1131
Schistosoma mansoni hypothetical protein 0.0047 0.0148 0.0266
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0074 0.0318 0.6247
Echinococcus multilocularis nibrin 0.0074 0.0318 0.062
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0058 0.0134
Trichomonas vaginalis replication factor C large subunit, putative 0.0074 0.0318 0.1864
Trichomonas vaginalis glutaminase, putative 0.0283 0.1619 1
Schistosoma mansoni transcription factor LCR-F1 0.0188 0.1026 0.2093
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0132 0.1115
Echinococcus granulosus geminin 0.0205 0.113 0.231
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0074 0.0318 0.6247
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0474 0.2812 1
Giardia lamblia Replication factor C, subunit 1 0.0074 0.0318 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0311 0.1793 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.0221 0.0221
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0058 0.0078
Plasmodium vivax sentrin-specific protease 1, putative 0.0096 0.0454 0.1553
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0509 0.164
Echinococcus granulosus mothers against decapentaplegic 6 0.005 0.0163 0.0297
Loa Loa (eye worm) hypothetical protein 0.0637 0.383 0.383
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0058 0.0078
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0132 0.0701
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0096 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0295 0.1694 0.3484
Loa Loa (eye worm) hypothetical protein 0.0105 0.0509 0.0509
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0058 0.1132
Schistosoma mansoni smad 0.005 0.0163 0.0297
Toxoplasma gondii LsmAD domain-containing protein 0.0105 0.0509 0.1752
Trypanosoma brucei SUMO1/Ulp2, putative 0.0027 0.002 0.0395
Brugia malayi Pax transcription activation domain interacting protein 0.0074 0.0318 0.0318
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0058 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0141 0.0251
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0096 0.0454 0.0902
Brugia malayi hypothetical protein 0.0105 0.0509 0.0509
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0027 0.002 0.002
Loa Loa (eye worm) transcription factor SMAD2 0.1627 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.002
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0058 0.0078
Brugia malayi RNA recognition motif domain containing protein 0.0797 0.4826 0.4826
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0148 0.0266
Loa Loa (eye worm) hypothetical protein 0.0474 0.2812 0.2812
Schistosoma mansoni topbp1 0.0074 0.0318 0.062
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0058 0.1132
Schistosoma mansoni peptidase Clp (S14 family) 0.0474 0.2812 0.5809
Loa Loa (eye worm) TAR-binding protein 0.0797 0.4826 0.4826
Brugia malayi MH2 domain containing protein 0.0111 0.0545 0.0545
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0058 0.0058
Plasmodium falciparum replication factor C subunit 1, putative 0.0074 0.0318 0.0946
Onchocerca volvulus Mothers against decapentaplegic homolog 0.005 0.0163 0.1419
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0188 0.1026 0.2093
Echinococcus multilocularis mothers against decapentaplegic 6 0.005 0.0163 0.0297
Brugia malayi hypothetical protein 0.0074 0.0318 0.0318
Brugia malayi RNA binding protein 0.0797 0.4826 0.4826
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0295 0.1694 0.3484
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0132 0.0233
Brugia malayi Latrophilin receptor protein 2 0.0295 0.1694 0.1694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0141 0.0251
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0111 0.0545 0.1093
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0933 0.567 0.567
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0188 0.1026 0.2093
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0103 0.0262
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0163 0.0163
Loa Loa (eye worm) MH1 domain-containing protein 0.0111 0.0545 0.0545
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0509 1
Loa Loa (eye worm) Ulp1 protease 0.0027 0.002 0.002
Schistosoma mansoni smad1 5 8 and 0.0111 0.0545 0.1093
Toxoplasma gondii ATPase, AAA family protein 0.0074 0.0318 0.1068
Brugia malayi MH2 domain containing protein 0.005 0.0163 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0318 0.1864
Onchocerca volvulus 0.0074 0.0318 0.2958
Loa Loa (eye worm) hypothetical protein 0.005 0.0163 0.0163
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0474 0.2812 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0132 0.2597
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0509 0.164
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0141 0.0251
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0058 0.1132
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0933 0.567 0.567
Brugia malayi TAR-binding protein 0.0797 0.4826 0.4826
Loa Loa (eye worm) RNA binding protein 0.0797 0.4826 0.4826
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0311 0.1793 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0148 0.0266
Schistosoma mansoni DNA ligase IV 0.0074 0.0318 0.062
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0096 0.0454 0.2712
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0132 0.0701
Toxoplasma gondii hypothetical protein 0.0163 0.0873 0.3055
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0163 0.0873 0.2225
Mycobacterium ulcerans glutaminase 0.0283 0.1619 0.5758
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0163 0.0873 0.3055
Schistosoma mansoni glutaminase 0.0283 0.1619 0.3327
Plasmodium falciparum sentrin-specific protease 1 0.0096 0.0454 0.1438
Chlamydia trachomatis DNA ligase 0.0074 0.0318 0.1068
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0318 0.1864
Echinococcus granulosus sentrin specific protease 1 0.0096 0.0454 0.0902
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Brugia malayi Probable ClpP-like protease 0.0474 0.2812 0.2812
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0311 0.1793 0.6238
Echinococcus granulosus mothers against decapentaplegic 2 0.005 0.0163 0.0297
Echinococcus multilocularis tar DNA binding protein 0.0797 0.4826 1
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0318 0.1864
Loa Loa (eye worm) hypothetical protein 0.0061 0.0236 0.0236
Brugia malayi MH1 domain containing protein 0.0061 0.0236 0.0236
Plasmodium vivax replication factor C subunit 1, putative 0.0074 0.0318 0.1068
Brugia malayi MH1 domain containing protein 0.0111 0.0545 0.0545
Schistosoma mansoni Smad4 0.0111 0.0545 0.1093
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0295 0.1694 0.3484
Loa Loa (eye worm) hypothetical protein 0.0188 0.1028 0.1028
Brugia malayi DKFZp564C0469 protein 0.0074 0.0318 0.0318
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0933 0.567 0.567
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Loa Loa (eye worm) nuclear factor I 0.0061 0.0236 0.0236
Schistosoma mansoni chromosome transmission fidelity factor 0.0074 0.0318 0.062
Entamoeba histolytica hypothetical protein 0.0188 0.1026 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0027 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Echinococcus multilocularis geminin 0.0205 0.113 0.231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0058 0.0078
Schistosoma mansoni hypothetical protein 0.0295 0.1694 0.3484
Echinococcus granulosus Smad4 0.0111 0.0545 0.1093
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0163 0.0873 0.2843
Entamoeba histolytica hypothetical protein 0.0188 0.1026 1
Echinococcus granulosus peptidase Clp S14 family 0.0311 0.1793 0.3688
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0058 0.1132
Schistosoma mansoni hypothetical protein 0.0205 0.113 0.231
Echinococcus granulosus smad 0.0111 0.0545 0.1093
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0027 0.002 0.002
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0058 0.1132
Schistosoma mansoni smad 0.0111 0.0545 0.1093
Schistosoma mansoni tar DNA-binding protein 0.0797 0.4826 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0132 0.0701
Schistosoma mansoni hypothetical protein 0.0295 0.1694 0.3484
Loa Loa (eye worm) hypothetical protein 0.0933 0.567 0.567
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0096 0.0454 0.0902
Echinococcus granulosus replication factor c subunit 1 0.0074 0.0318 0.062
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0318 0.6247
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Loa Loa (eye worm) Smad1 0.0111 0.0545 0.0545
Echinococcus granulosus tar DNA binding protein 0.0797 0.4826 1
Schistosoma mansoni hypothetical protein 0.0295 0.1694 0.3484
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0141 0.0141
Schistosoma mansoni Smad4 0.005 0.0163 0.0297
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.0318
Brugia malayi mothers against decapentaplegic homolog 3 0.005 0.0163 0.0163
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0132 0.2597
Echinococcus granulosus mothers against decapentaplegic 5 0.0111 0.0545 0.1093
Brugia malayi hypothetical protein 0.0068 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0096 0.0454 0.0454
Entamoeba histolytica hypothetical protein 0.0188 0.1026 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0111 0.0545 0.0545
Brugia malayi Inositol-1 0.0045 0.0132 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0318 0.1864
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0074 0.0318 0.1864
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0027 0.002 0.0395
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0509 1
Brugia malayi topoisomerase 0.0074 0.0318 0.0318
Schistosoma mansoni smad1 5 8 and 0.0111 0.0545 0.1093
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0318 0.6247
Loa Loa (eye worm) glutaminase 2 0.0283 0.1619 0.1619
Entamoeba histolytica hypothetical protein 0.0188 0.1026 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0096 0.0454 0.1553
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0074 0.0318 0.1864
Echinococcus multilocularis peptidase Clp (S14 family) 0.0311 0.1793 0.3688
Loa Loa (eye worm) Ulp1 protease 0.0027 0.002 0.002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0132 0.0233
Brugia malayi MH2 domain containing protein 0.0111 0.0545 0.0545
Brugia malayi Smad1 0.0111 0.0545 0.0545
Echinococcus multilocularis mothers against decapentaplegic 5 0.0111 0.0545 0.1093
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0074 0.0318 0.2963
Schistosoma mansoni hypothetical protein 0.0295 0.1694 0.3484
Trypanosoma cruzi FHA domain containing protein, putative 0.0074 0.0318 0.6247
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0141 0.0141
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0027 0.002 0.0395
Loa Loa (eye worm) hypothetical protein 0.0295 0.1694 0.1694
Loa Loa (eye worm) latrophilin receptor protein 2 0.0295 0.1694 0.1694
Schistosoma mansoni hypothetical protein 0.0637 0.383 0.7927
Schistosoma mansoni tar DNA-binding protein 0.0797 0.4826 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0141 0.0251
Loa Loa (eye worm) inositol-1 0.0045 0.0132 0.0132
Loa Loa (eye worm) MH2 domain-containing protein 0.1627 1 1
Loa Loa (eye worm) glutaminase 0.0283 0.1619 0.1619
Brugia malayi hypothetical protein 0.0074 0.0318 0.0318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0141 0.0251
Echinococcus multilocularis Smad4 0.0111 0.0545 0.1093
Echinococcus multilocularis GPCR, family 2 0.0295 0.1694 0.3484
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0074 0.0318 0.1864
Echinococcus multilocularis mothers against decapentaplegic 2 0.005 0.0163 0.0297
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0074 0.0318 0.1864
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0141 0.0251
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0058 0.0134
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0295 0.1694 0.1694
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0074 0.0318 0.0694
Schistosoma mansoni hypothetical protein 0.0205 0.113 0.231
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0318 0.1864
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0221 0.0221
Schistosoma mansoni tar DNA-binding protein 0.0797 0.4826 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0111 0.0545 0.1093
Echinococcus multilocularis replication factor c subunit 1 0.0074 0.0318 0.062
Schistosoma mansoni tar DNA-binding protein 0.0797 0.4826 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0132 0.2597
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0058 0.0078
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0188 0.1028 1
Echinococcus multilocularis smad 0.0111 0.0545 0.1093
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0074 0.0318 0.0318
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0474 0.2812 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0474 0.2812 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0058 0.0078
Schistosoma mansoni topbp1 0.0074 0.0318 0.062
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0132 0.0402
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0058 0.0078
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0295 0.1694 0.3484
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0132 0.0233
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0132 0.2597
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0096 0.0454 0.4311
Echinococcus granulosus GPCR family 2 0.0295 0.1694 0.3484
Trypanosoma cruzi hypothetical protein 0.0027 0.002 0.0395
Schistosoma mansoni smad1 5 8 and 0.0111 0.0545 0.1093
Brugia malayi latrophilin 2 splice variant baaae 0.0637 0.383 0.383
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0163 0.0873 0.2961
Echinococcus multilocularis sentrin specific protease 1 0.0096 0.0454 0.0902
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0074 0.0318 0.0794
Schistosoma mansoni tar DNA-binding protein 0.0797 0.4826 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0141 0.0251
Entamoeba histolytica hypothetical protein 0.0074 0.0318 0.2963
Brugia malayi N-terminal motif family protein 0.0188 0.1028 0.1028
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0132 0.047
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0474 0.2812 0.5809
Brugia malayi glutaminase DH11.1 0.0283 0.1619 0.1619
Schistosoma mansoni hypothetical protein 0.0188 0.1026 0.2093
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0797 0.4826 0.4826
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0163 0.0163

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-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.562341325 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) = 6.309573445 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) = 8.912509381 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 (functional) 0.0415 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) 3.1623 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] 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 Texas Red Labeled MLL-derived Mutant Peptide. (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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