Detailed information for compound 1222934

Basic information

Technical information
  • TDR Targets ID: 1222934
  • Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol- 3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
  • MW: 365.494 | Formula: C17H27N5O2S
  • H donors: 2 H acceptors: 4 LogP: 3.62 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)NC(=O)CSc1nnc(n1CC=C)C1CCCCC1
  • InChi: 1S/C17H27N5O2S/c1-3-10-18-16(24)19-14(23)12-25-17-21-20-15(22(17)11-4-2)13-8-6-5-7-9-13/h4,13H,2-3,5-12H2,1H3,(H2,18,19,23,24)
  • InChiKey: BUAQNNOGNASELY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
  • 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(oxo-propylaminomethyl)acetamide
  • 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(propylcarbamoyl)acetamide
  • 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)ethanamide
  • T5481185
  • MLS000568085
  • SMR000154362

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans 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
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi glutaminyl cyclase, putative 0.0079 0.0501 1
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.0029 0.0082 0.013
Brugia malayi follicle stimulating hormone receptor 0.0282 0.2202 0.6257
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0079 0.0501 0.1355
Onchocerca volvulus Glutaminyl cyclase homolog 0.0079 0.0501 0.1218
Loa Loa (eye worm) hypothetical protein 0.006 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0079 0.0501 0.0501
Brugia malayi nicalin 0.0079 0.0501 0.1424
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0029 0.0082 0.0223
Echinococcus granulosus expressed protein 0.0029 0.0082 0.0223
Echinococcus granulosus neuropeptide s receptor 0.0461 0.3698 1
Schistosoma mansoni protease 0.0029 0.0082 0.013
Onchocerca volvulus 0.0079 0.0501 0.1218
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0079 0.0501 0.0791
Loa Loa (eye worm) hypothetical protein 0.0094 0.0631 0.0631
Trypanosoma brucei protein kinase, putative 0.0051 0.0264 0.4329
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0804 0.6577 0.674
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0079 0.0501 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0264 0.3303
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0455 0.6779
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0264 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0359 0.4744
Brugia malayi MH2 domain containing protein 0.0144 0.1048 0.2977
Loa Loa (eye worm) hypothetical protein 0.0079 0.0501 0.0501
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.1184 0.9758 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0029 0.0082 0.0084
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0108 0.0743 1
Echinococcus multilocularis neuropeptide receptor A26 0.0461 0.3698 0.379
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0345 0.0345
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0631 0.0647
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0079 0.0501 0.0514
Brugia malayi MAP kinase sur-1 0.0051 0.0264 0.0749
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0079 0.0501 0.1355
Schistosoma mansoni zinc finger protein 0.0029 0.0082 0.013
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0455 0.0466
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0455 0.1229
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0079 0.0501 0.1355
Schistosoma mansoni hypothetical protein 0.0168 0.1248 0.1969
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0776 0.6339 1
Toxoplasma gondii peptidase, M28 family protein 0.0079 0.0501 0.763
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0501 1
Brugia malayi Peptidase family M28 containing protein 0.0079 0.0501 0.1424
Schistosoma mansoni zinc finger protein 0.0029 0.0082 0.013
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0631 0.0996
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0292
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0631 1
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0079 0.0501 0.0514
Schistosoma mansoni lozenge 0.0055 0.0302 0.0476
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0501 1
Loa Loa (eye worm) hypothetical protein 0.0439 0.352 0.352
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0455 0.2489
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1048 0.1048
Onchocerca volvulus Fxna peptidase homolog 0.0079 0.0501 0.1218
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0264 0.0713
Toxoplasma gondii hypothetical protein 0.0033 0.0113 0.0556
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 0.5
Trypanosoma brucei glutaminyl cyclase, putative 0.0079 0.0501 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0345 0.0979
Brugia malayi Probable ClpP-like protease 0.0094 0.0631 0.1794
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0455 0.0717
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 1
Echinococcus granulosus e3 ubiquitin protein ligase RNF13 0.0029 0.0082 0.0223
Toxoplasma gondii hypothetical protein 0.0079 0.0501 0.763
Schistosoma mansoni Fxna peptidase (M28 family) 0.0079 0.0501 0.0791
Schistosoma mansoni nicalin (M28 family) 0.0079 0.0501 0.0791
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0079 0.0501 0.0791
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0282 0.2202 0.2202
Mycobacterium tuberculosis Conserved protein 0.0079 0.0501 0.3705
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0264 0.027
Loa Loa (eye worm) leucyl aminopeptidase 0.0079 0.0501 0.0501
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 0.6124
Loa Loa (eye worm) hypothetical protein 0.0041 0.0185 0.0185
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0631 0.1707
Onchocerca volvulus 0.0439 0.352 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0264 0.0264
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0264 0.4329
Echinococcus granulosus neuropeptide receptor A26 0.0461 0.3698 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1048 0.1048
Brugia malayi PA domain containing protein 0.0029 0.0082 0.0234
Trypanosoma cruzi glutaminyl cyclase, putative 0.0079 0.0501 1
Echinococcus multilocularis expressed protein 0.0029 0.0082 0.0084
Loa Loa (eye worm) runx1 0.0055 0.0302 0.0302
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0631 1
Brugia malayi hypothetical protein 0.0439 0.352 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0455 0.8033
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 0.6124
Brugia malayi FXNA 0.0079 0.0501 0.1424
Mycobacterium ulcerans hypothetical protein 0.0079 0.0501 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0501 1
Loa Loa (eye worm) hypothetical protein 0.1105 0.9097 0.9097
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0631 1
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0264 0.0713
Echinococcus multilocularis e3 ubiquitin protein ligase RNF13 0.0029 0.0082 0.0084
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0185 0.0526
Loa Loa (eye worm) hypothetical protein 0.0079 0.0501 0.0501
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0264 0.027
Loa Loa (eye worm) hypothetical protein 0.0439 0.352 0.352
Schistosoma mansoni hypothetical protein 0.0168 0.1248 0.1969
Echinococcus multilocularis neuropeptide s receptor 0.0461 0.3698 0.379
Leishmania major glutaminyl cyclase, putative 0.0079 0.0501 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0264 0.0416
Echinococcus multilocularis Protein lozenge 0.0055 0.0302 0.031
Loa Loa (eye worm) PA domain-containing protein 0.0029 0.0082 0.0082
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0079 0.0501 0.0514
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0345 0.0979
Loa Loa (eye worm) hypothetical protein 0.0805 0.6581 0.6581
Onchocerca volvulus Fxna peptidase homolog 0.0079 0.0501 0.1218
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0631 1
Brugia malayi leucyl aminopeptidase 0.0079 0.0501 0.1424
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0359 0.097
Leishmania major hypothetical protein, conserved 0.0079 0.0501 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0455 0.0717
Onchocerca volvulus Fxna peptidase homolog 0.0079 0.0501 0.1218
Echinococcus granulosus geminin 0.0168 0.1248 0.3375
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0631 1
Echinococcus multilocularis geminin 0.0168 0.1248 0.1279
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0359 0.0368
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0108 0.0743 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0033 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) 0.0329 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) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.
 
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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