Detailed information for compound 1409211

Basic information

Technical information
  • TDR Targets ID: 1409211
  • Name: (2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a ]pyrimidin-7-yl)methyl 2-[(4-methylbenzoyl)am ino]benzoate
  • MW: 460.505 | Formula: C24H20N4O4S
  • H donors: 1 H acceptors: 3 LogP: 3.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(n1)sc(n2)C1CC1
  • InChi: 1S/C24H20N4O4S/c1-14-6-8-15(9-7-14)21(30)26-19-5-3-2-4-18(19)23(31)32-13-17-12-20(29)28-24(25-17)33-22(27-28)16-10-11-16/h2-9,12,16H,10-11,13H2,1H3,(H,26,30)
  • InChiKey: OQIKHDFSRDZPDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid (2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • 2-[(4-methylbenzoyl)amino]benzoic acid (2-cyclopropyl-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • (2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-methylphenyl)carbonylamino]benzoate
  • G357-1419
  • NCGC00130648-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi glutathione reductase 0.0053 0.0453 0.0453
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0166 0.1882 0.5024
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0313 0.3727 0.3716
Mycobacterium tuberculosis Conserved protein 0.0027 0.0133 0.0308
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.0288
Trypanosoma brucei hypothetical protein, conserved 0.0238 0.278 0.2767
Giardia lamblia Fructose-bisphosphate aldolase 0.0341 0.4075 0.4064
Brugia malayi RNA binding protein 0.0071 0.0679 0.0679
Schistosoma mansoni cellular tumor antigen P53 0.006 0.054 0.0522
Brugia malayi transcriptional regulator, Sir2 family protein 0.0197 0.2263 0.2263
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.1305 0.3469
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0019 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0341 0.4075 1
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0453 0.0435
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Giardia lamblia Sirtuin type 2 0.0197 0.2263 0.2248
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0446 0.0428
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.1474 0.3925
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.0679 0.178
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0288 0.0288
Giardia lamblia Kinase, PLK 0.0106 0.1117 0.11
Schistosoma mansoni hypothetical protein 0.0018 0.0019 0.0001
Brugia malayi TAR-binding protein 0.0071 0.0679 0.0679
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0519 0.0519
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0019 0.0001
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.1117 0.11
Brugia malayi transcriptional regulator, Sir2 family protein 0.0197 0.2263 0.2263
Echinococcus multilocularis lamin dm0 0.0031 0.0184 0.0165
Echinococcus multilocularis musashi 0.0031 0.0184 0.0165
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0519 0.0519
Echinococcus granulosus chromatin regulatory protein sir2 0.0811 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.1305 0.3469
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Brugia malayi Thioredoxin reductase 0.0053 0.0453 0.0453
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0679 0.0679
Plasmodium falciparum glutathione reductase 0.0053 0.0453 0.1172
Mycobacterium ulcerans hypothetical protein 0.0027 0.0133 0.0308
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0313 0.3727 0.3716
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0313 0.3727 0.3716
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0811 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0019 0.0001
Schistosoma mansoni chromatin regulatory protein sir2 0.0811 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.1474 0.3522
Entamoeba histolytica hypothetical protein, conserved 0.0197 0.2263 0.129
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0166 0.1882 0.5024
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1117 0.11
Loa Loa (eye worm) transcriptional regulator 0.0197 0.2263 0.2263
Toxoplasma gondii histone deacetylase SIR2 0.0313 0.3727 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.002 0.002
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.1305 0.3469
Loa Loa (eye worm) sirtuin 4 0.0197 0.2263 0.2263
Loa Loa (eye worm) CYP4Cod1 0.0018 0.002 0.002
Plasmodium vivax NAD-dependent deacetylase, putative 0.0313 0.3727 1
Leishmania major hypothetical protein, conserved 0.0238 0.278 0.2767
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0341 0.4075 0.333
Echinococcus multilocularis GPCR, family 2 0.0018 0.0019 0.0001
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0197 0.2263 0.2248
Echinococcus granulosus intermediate filament protein 0.0031 0.0184 0.0165
Schistosoma mansoni chromatin regulatory protein sir2 0.0811 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0197 0.2263 0.2248
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0679 0.0661
Toxoplasma gondii histone deacetylase SIR2-like 0.0197 0.2263 0.6051
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0433 0.5235 0.5227
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.1117 0.11
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0679 0.0679
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0133 0.0114
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0811 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0459 0.0441
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0019 0.5
Trypanosoma brucei cytochrome P450, putative 0.0018 0.002 0.0002
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0313 0.3727 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0453 0.0435
Giardia lamblia Transcriptional regulator, Sir2 family 0.0313 0.3727 0.3716
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0679 0.178
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0019 0.0019
Echinococcus granulosus GPCR family 2 0.0018 0.0019 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0459 0.0441
Schistosoma mansoni hypothetical protein 0.0018 0.0019 0.0001
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0433 0.5235 0.5227
Loa Loa (eye worm) hypothetical protein 0.0433 0.5235 0.5235
Brugia malayi Cytochrome P450 family protein 0.0018 0.002 0.002
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0811 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0459 0.0441
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.1305 0.3469
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0197 0.2263 0.2248
Schistosoma mansoni kinase 0.0054 0.0463 0.0446
Mycobacterium ulcerans Sir2-like regulatory protein 0.0197 0.2263 0.6051
Mycobacterium ulcerans NAD-dependent deacetylase 0.0313 0.3727 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0027 0.0133 0.0114
Loa Loa (eye worm) hypothetical protein 0.0058 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0176 0.0176
Brugia malayi intermediate filament protein 0.0031 0.0184 0.0184
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.1117 0.11
Loa Loa (eye worm) transcriptional regulator 0.0811 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0679 0.0662
Trypanosoma cruzi hypothetical protein, conserved 0.0238 0.278 0.2767
Giardia lamblia Hypothetical protein 0.0811 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.002 0.0002
Schistosoma mansoni hypothetical protein 0.0018 0.0019 0.0001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0459 0.0459
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.1474 0.3925
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0133 0.0114
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0313 0.3727 0.2939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0459 0.0441
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0313 0.3727 0.3716
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0811 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0433 0.5235 0.5227
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0679 0.0662
Schistosoma mansoni chromatin regulatory protein sir2 0.0811 1 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.0679 0.0679
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0133 0.0308
Schistosoma mansoni chromatin regulatory protein sir2 0.0433 0.5235 0.5227
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0019 0.0001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0184 0.0184
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0019 0.0001
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0313 0.3727 0.3716
Trypanosoma brucei polo-like protein kinase 0.0106 0.1117 0.11
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0679 0.178
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0679 0.0662
Loa Loa (eye worm) hypothetical protein 0.006 0.054 0.054
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.1117 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0019 0.0019
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.1117 0.1117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0679 0.178
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.002 0.0002
Echinococcus granulosus lamin dm0 0.0031 0.0184 0.0165
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0341 0.4075 0.333
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Plasmodium falciparum thioredoxin reductase 0.0053 0.0453 0.1172
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0679 0.0662
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0133 0.0308
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0433 0.5235 0.5227
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0679 0.0662
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0679 0.0662
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0679 0.0661
Loa Loa (eye worm) transcriptional regulator 0.0197 0.2263 0.2263
Brugia malayi Cytochrome P450 family protein 0.0018 0.002 0.002
Trypanosoma brucei SIR2-like protein 4, putative 0.0197 0.2263 0.2248
Loa Loa (eye worm) hypothetical protein 0.0236 0.2761 0.2761
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Leishmania major cytochrome p450-like protein 0.0018 0.002 0.0002
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0133 0.0308
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0453 0.1172
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0453 0.0435
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Schistosoma mansoni hypothetical protein 0.004 0.0288 0.027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.1474 0.3925
Schistosoma mansoni hypothetical protein 0.0018 0.0019 0.0001
Schistosoma mansoni chromatin regulatory protein sir2 0.0197 0.2263 0.2248
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0184 0.0184
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.002 0.002
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1117 0.11
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0433 0.5235 0.5227
Echinococcus granulosus lamin 0.0031 0.0184 0.0165
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0313 0.3727 0.3716
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Mycobacterium tuberculosis Probable reductase 0.0121 0.1305 0.3469
Leishmania major trypanothione reductase 0.0053 0.0453 0.0435
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0459 0.0459
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0184 0.0184
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0197 0.2263 0.2248
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0811 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0446 0.0428
Echinococcus granulosus tar DNA binding protein 0.0071 0.0679 0.0662
Leishmania major sir2-family protein-like protein 0.0197 0.2263 0.2248
Schistosoma mansoni lamin 0.0031 0.0184 0.0165
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0459 0.0441
Loa Loa (eye worm) hypothetical protein 0.0031 0.0184 0.0184
Echinococcus multilocularis lamin 0.0031 0.0184 0.0165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0459 0.0441
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0811 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0238 0.278 0.2767
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0679 0.0661
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0197 0.2263 0.2248
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0197 0.2263 0.6051
Plasmodium vivax hypothetical protein, conserved 0.0197 0.2263 0.6051
Echinococcus multilocularis tumor protein p63 0.0408 0.4924 0.4915
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0519 0.0519
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0679 0.0661
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0679 0.0661
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0679 0.178
Toxoplasma gondii thioredoxin reductase 0.0053 0.0453 0.1172
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0811 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0313 0.3727 0.3716
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0133 0.0114
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0679 0.0679
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Brugia malayi NAD-dependent deacetylase SIRT1 0.0433 0.5235 0.5235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Leishmania major silent information regulator 2, putative 0.0811 1 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0133 0.0114
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0019 0.0019
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.1117 0.1117
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0197 0.2263 0.2248
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.002 0.0005
Brugia malayi Cytochrome P450 family protein 0.003 0.0172 0.0172
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0453 0.0453
Loa Loa (eye worm) glutathione reductase 0.0053 0.0453 0.0453
Schistosoma mansoni lamin 0.0031 0.0184 0.0165
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.4075 0.4064
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0121 0.1305 0.0832
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1117 0.11
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.1305 0.3469
Trypanosoma brucei trypanothione reductase 0.0053 0.0453 0.0435
Echinococcus multilocularis chromatin regulatory protein sir2 0.0811 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0453 0.1172
Schistosoma mansoni intermediate filament proteins 0.0031 0.0184 0.0165
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0172 0.0172
Onchocerca volvulus 0.006 0.054 0.3819
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0197 0.2263 0.2248
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0166 0.1882 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0811 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0019
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0027 0.0133 0.0308
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0313 0.3727 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0019 0.0019
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0313 0.3727 0.3716
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0433 0.5235 0.5227
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0019 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0459 0.0441
Mycobacterium ulcerans hypothetical protein 0.0027 0.0133 0.0308
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0433 0.5235 0.5227
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0133 0.0114
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0197 0.2263 0.129
Plasmodium vivax glutathione reductase, putative 0.0053 0.0453 0.1172
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1117 0.11
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0811 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.4924 0.4915

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0794 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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