Detailed information for compound 210639

Basic information

Technical information
  • TDR Targets ID: 210639
  • Name: Gliotoxin
  • MW: 326.391 | Formula: C13H14N2O4S2
  • H donors: 2 H acceptors: 4 LogP: -0.72 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C
  • InChi: 1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
  • InChiKey: FIVPIPIDMRVLAY-RBJBARPLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 67-99-2
  • AIDS-086418
  • QTL1_000040
  • 6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
  • C10595
  • Glitoxin
  • NCGC00163466-01
  • AIDS086418
  • Gliotoxin, Gladiocladium fimbriatum
  • BSPBio_001237
  • 2,3,5a,6-Tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10H-3a,10a-epidithio-pyrazinol[1,2alpha]indole-1,4-dione
  • 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3- (hydroxymethyl)-2-methyl-, (3R-(3-alpha,5a-beta,6-beta,10a-alpha))-
  • 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-
  • 4-27-00-08902 (Beilstein Handbook Reference)
  • AI3-62383
  • Aspergillin
  • BRN 0050675
  • CCRIS 4025
  • S.N. 12870

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Saccharomyces cerevisiae acetolactate synthase catalytic subunit Starlite/ChEMBL References
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens farnesyltransferase, CAAX box, alpha References
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL References
Homo sapiens suppressor of variegation 3-9 homolog 1 (Drosophila) Starlite/ChEMBL References
Homo sapiens farnesyltransferase, CAAX box, beta References
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) Curated by TDR Targets References
Homo sapiens protein geranylgeranyltransferase type I, beta subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130050 All targets in OG5_130050
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130050 All targets in OG5_130050
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130050 All targets in OG5_130050
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05302 histone-lysine N-methyltransferase [EC2.1.1.43], putative Get druggable targets OG5_130050 All targets in OG5_130050
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) thiamine pyrophosphate enzyme Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K05955 protein geranylgeranyltransferase type I, beta subunit [EC:2.5.1.59], putative Get druggable targets OG5_129786 All targets in OG5_129786
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) Get druggable targets OG5_178532 All targets in OG5_178532
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) Get druggable targets OG5_178532 All targets in OG5_178532
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05302 histone-lysine N-methyltransferase [EC2.1.1.43], putative Get druggable targets OG5_130050 All targets in OG5_130050
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Mycobacterium ulcerans mycothiol conjugate amidase Mca Get druggable targets OG5_178532 All targets in OG5_178532
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni histone-lysine n-methyltransferase suv9 Get druggable targets OG5_130050 All targets in OG5_130050
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi SET domain containing protein Get druggable targets OG5_130050 All targets in OG5_130050
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 290 aa 315 aa 31.1 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trypanosoma brucei protein farnesyltransferase beta subunit protein geranylgeranyltransferase type I, beta subunit 377 aa 361 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi protein farnesyltransferase, putative 0.0132496 0.0298542 1
Trypanosoma cruzi hypothetical protein, conserved 0.00492706 0.00641447 0.21486
Brugia malayi SET domain containing protein 0.0131465 0.0295637 0.0295637
Trypanosoma brucei hypothetical protein, conserved 0.00328991 0.0018036 0.0604136
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0245569 0.0616999 0.209366
Trichomonas vaginalis set domain proteins, putative 0.0322677 0.0834167 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.00302885 0.00106835 0.00954854
Mycobacterium ulcerans methionine aminopeptidase MapB 0.00302885 0.00106835 0.00081868
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.00302885 0.00106835 0.00954854
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0222476 0.0551959 0.187296
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.00534768 0.00759911 0.254541
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.00328991 0.0018036 0.0604136
Leishmania major protein farnesyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0604136
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0245569 0.0616999 0.209366
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.00651531 0.0108876 0.0211717
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.00492706 0.00641447 0.21486
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.00492706 0.00641447 0.168627
Loa Loa (eye worm) hypothetical protein 0.012228 0.0269769 0.0269769
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0072677 0.0130067 0.0441355
Mycobacterium ulcerans methionine aminopeptidase 0.00302885 0.00106835 0.00081868
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0175756 0.0420379 0.142647
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.00752145 0.0137213 0.459611
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0222476 0.0551959 0.187296
Plasmodium vivax SET domain protein, putative 0.0072677 0.0130067 0.298161
Trypanosoma cruzi hypothetical protein, conserved 0.00492706 0.00641447 0.21486
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.00651531 0.0108876 0.021306
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.00492706 0.00641447 0.0217662
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.00752145 0.0137213 0.0270453
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0273233
Trypanosoma cruzi hypothetical protein, conserved 0.00328991 0.0018036 0.0604136
Onchocerca volvulus 0.107286 0.294699 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.00492706 0.00641447 0.0116001
Leishmania major geranylgeranyltransferase, putative 0.00492706 0.00641447 0.21486
Toxoplasma gondii methionine aminopeptidase 0.00534768 0.00759911 0.205993
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0376695 0.0986303 0.334682
Echinococcus granulosus rho-associated protein kinase 1 0.107286 0.294699 1
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.00752145 0.0137213 0.459611
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0216216
Trypanosoma brucei lanosterol synthase 0.00492706 0.00641447 0.21486
Plasmodium falciparum geranylgeranyltransferase, putative 0.00492706 0.00641447 0.138793
Brugia malayi Protein kinase domain containing protein 0.357713 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.00752145 0.0137213 0.164491
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.00328991 0.0018036 0.00612014
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.00752145 0.0137213 0.459611
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.00328991 0.0018036 0.0018036
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.00752145 0.0137213 0.315438
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.00752145 0.0137213 0.198972
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.00492706 0.00641447 0.168627
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0072677 0.0130067 0.376557
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0175756 0.0420379 0.0420379
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.00302885 0.00106835 0.00362524
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.00492706 0.00641447 0.138793
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0200909 0.049122 0.166686
Trypanosoma cruzi hypothetical protein, conserved 0.00328991 0.0018036 0.0604136
Schistosoma mansoni hypothetical protein 0.00884854 0.0174589 0.0592434
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.00328991 0.0018036 0.0604136
Giardia lamblia Rab geranylgeranyltransferase 0.0175756 0.0420379 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.00328991 0.0018036 0.00612014
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0245569 0.0616999 0.0616999
Trypanosoma cruzi lanosterol synthase, putative 0.00492706 0.00641447 0.21486
Brugia malayi Pre-SET motif family protein 0.0253233 0.0638583 0.0638583
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.00651531 0.0108876 0.0203697
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0245569 0.0616999 0.209366
Loa Loa (eye worm) ILVBL protein 0.00450939 0.00523814 0.00523814
Echinococcus granulosus voltage dependent calcium channel subunit 0.0172146 0.0410211 0.139197
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.00492706 0.00641447 0.076981
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.00302885 0.00106835 0.5
Toxoplasma gondii hypothetical protein 0.0142857 0.0327722 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0072677 0.0130067 0.0441355
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.00302885 0.00106835 0.00362524
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.00492706 0.00641447 0.0768968
Onchocerca volvulus 0.107019 0.293947 0.997435
Echinococcus granulosus voltage dependent calcium channel subunit 0.0376695 0.0986303 0.334682
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0175756 0.0420379 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0175756 0.0420379 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0036267 0.00275215 0.00365353
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) 0.00752145 0.0137213 0.0262481
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.174188 0.483121 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.00832257 0.0159776 0.369984
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.00651531 0.0108876 0.0108876
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.00651531 0.0108876 0.021306
Giardia lamblia Prenyltransferase 0.0132496 0.0298542 0.697181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072677 0.0130067 0.0441355
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0132496 0.0298542 0.357892
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0245569 0.0616999 0.209366
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0604136
Trypanosoma brucei methionine aminopeptidase, putative 0.00534768 0.00759911 0.254541
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0175756 0.0420379 0.142647
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.00752145 0.0137213 0.315438
Loa Loa (eye worm) hypothetical protein 0.00758446 0.0138988 0.0138988
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.00328991 0.0018036 0.0604136
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.00752145 0.0137213 0.198972
Schistosoma mansoni acetolactate synthase 0.00582181 0.00893444 0.0303172
Trypanosoma cruzi protein farnesyltransferase, putative 0.0132496 0.0298542 1
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 0.174188 0.483121 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.00836604 0.0161 0.0546322
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.00534768 0.00759911 0.167432
Treponema pallidum methionine aminopeptidase (map) 0.00302885 0.00106835 0.5
Giardia lamblia Rab geranylgeranyltransferase 0.00492706 0.00641447 0.114601
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.00752145 0.0137213 0.0137213
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0132496 0.0298542 0.357892
Mycobacterium ulcerans hypothetical protein 0.00651531 0.0108876 0.0211717
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.00534768 0.00759911 0.025786
Loa Loa (eye worm) hypothetical protein 0.00492706 0.00641447 0.00641447
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.00328991 0.0018036 0.00612014
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.166667 0.461938 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0245569 0.0616999 1
Echinococcus multilocularis rho associated protein kinase 0.107286 0.294699 1
Schistosoma mansoni serine-rich repeat protein 0.00884854 0.0174589 0.0592434
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0132496 0.0298542 0.357892
Loa Loa (eye worm) methionine aminopeptidase type I 0.00534768 0.00759911 0.00759911
Loa Loa (eye worm) hypothetical protein 0.0128232 0.0286533 0.0286533
Leishmania major farnesyltransferase beta subunit 0.0132496 0.0298542 1
Loa Loa (eye worm) hypothetical protein 0.0175756 0.0420379 0.0420379
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.00492706 0.00641447 0.21486
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0222476 0.0551959 0.0551959
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0132496 0.0298542 0.705455
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072677 0.0130067 0.0441355
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00534768 0.00759911 0.254541
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.00651531 0.0108876 0.0203697
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.00752145 0.0137213 0.0274545
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0175756 0.0420379 0.0420379
Onchocerca volvulus 0.0200909 0.049122 0.161554
Echinococcus granulosus histone lysine methyltransferase setb 0.0072677 0.0130067 0.0441355
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0132496 0.0298542 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.00492706 0.00641447 0.0768968
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.357713 1 1
Chlamydia trachomatis methionine aminopeptidase 0.00302885 0.00106835 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0175756 0.0420379 0.503951
Schistosoma mansoni serine/threonine protein kinase 0.107286 0.294699 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0132496 0.0298542 0.357892
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0132496 0.0298542 0.705455
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0132496 0.0298542 0.357892
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.00752145 0.0137213 0.0465605
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0132496 0.0298542 0.0298542
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.00492706 0.00641447 0.00641447
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0175756 0.0420379 0.503951
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0175756 0.0420379 0.503951
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0132496 0.0298542 0.468319
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0175756 0.0420379 0.142647
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0172146 0.0410211 0.139197
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.00492706 0.00641447 0.0217662
Onchocerca volvulus 0.0322677 0.0834167 0.278643
Plasmodium vivax geranylgeranyltransferase, putative 0.00492706 0.00641447 0.138793
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.00752145 0.0137213 0.0465605
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.00328991 0.0018036 0.0018036
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0604136
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.00432021 0.00470535 0.00470535
Brugia malayi Cache domain containing protein 0.00758446 0.0138988 0.0138988
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.00694444 0.0120962 0.0410461
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0253233 0.0638583 0.0638583
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0245569 0.0616999 0.739659
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.016433 0.0388198 0.131727
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.00288861 0.000673382 0.0225557
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.00752145 0.0137213 0.399099
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0132496 0.0298542 0.0298542
Toxoplasma gondii hypothetical protein 0.00328991 0.0018036 0.023191
Brugia malayi Pre-SET motif family protein 0.0072677 0.0130067 0.0130067
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0245569 0.0616999 0.0616999
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.00752145 0.0137213 0.0465605
Mycobacterium tuberculosis Conserved hypothetical protein 0.00752145 0.0137213 0.0274545
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.00752145 0.0137213 0.459611
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0132496 0.0298542 0.101304
Echinococcus granulosus protein prenyltransferase alpha subunit 0.00328991 0.0018036 0.00612014
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.00752145 0.0137213 0.0137213
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.00534768 0.00759911 0.254541
Loa Loa (eye worm) hypothetical protein 0.019598 0.0477338 0.0477338
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00534768 0.00759911 0.254541
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.00534768 0.00759911 0.025786
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0132496 0.0298542 0.101304
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.00328991 0.0018036 0.00612014
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0132496 0.0298542 0.357892
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.00534768 0.00759911 0.254541
Brugia malayi Methionine aminopeptidase protein type I 0.00534768 0.00759911 0.00759911
Loa Loa (eye worm) hypothetical protein 0.00492706 0.00641447 0.00641447
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0142857 0.0327722 0.392873
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0175756 0.0420379 0.671733
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072677 0.0130067 0.0441355
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.00752145 0.0137213 0.296208
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0132496 0.0298542 0.101304
Loa Loa (eye worm) hypothetical protein 0.0072677 0.0130067 0.0130067
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.00492706 0.00641447 0.138793
Trypanosoma cruzi lanosterol synthase, putative 0.00492706 0.00641447 0.21486
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.00651531 0.0108876 0.0211717
Loa Loa (eye worm) hypothetical protein 0.0215099 0.0531183 0.0531183
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.00328991 0.0018036 0.0273233
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.00328991 0.0018036 0.0604136
Schistosoma mansoni acetolactate synthase 0.00582181 0.00893444 0.0303172
Plasmodium vivax methionine aminopeptidase 1b, putative 0.00534768 0.00759911 0.167432
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0132496 0.0298542 0.90796
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.00302885 0.00106835 0.00362524

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 32 % Compound was evaluated for interaction with the creatine kinase in rabbit muscle after 6 hr ChEMBL. No reference
Activity (functional) = 59 % The extent of apoptosis was determined by evaluating the subdiploid population of propidium iodide stained cells using flow cytometry after 9 h using thymocytes from mice ChEMBL. No reference
ED50 (functional) = 0.35 uM Compound was evaluated for macrophage adherence in thioglycolate induced mouse macrophages ChEMBL. No reference
ED50 (functional) = 2 uM Compound was evaluated for Thymidine incorporation in P815 cell lines ChEMBL. No reference
IC50 (functional) = 0.003 uM Cytotoxicity against human A549 cells ChEMBL. 20303767
IC50 (functional) = 0.01 uM Antitrypanosomal activity against Trypanosoma brucei brucei 427-221a after 40 hrs by bioluminescence assay ChEMBL. 20303767
IC50 (functional) = 0.024 uM Cytotoxicity against mouse P388 cells after 96 hrs by MTT assay ChEMBL. 22148349
IC50 (ADMET) = 0.123 uM Cytotoxicity against HUVEC ChEMBL. 20303767
IC50 (functional) = 0.15 uM Cytotoxicity against human CEM cells after 96 hrs ChEMBL. 16124785
IC50 (binding) = 0.2 uM Inhibition of Saccharomyces cerevisiae acetolactate synthase ChEMBL. 20303767
IC50 (binding) = 0.26 uM Inhibition of SUV39H1 ChEMBL. 22975593
IC50 (binding) = 0.53 uM Inhibition of G9a ChEMBL. 22975593
IC50 (ADMET) < 1 uM Cytotoxicity against human Jurkat cells after 40 hrs bioluminescence assay ChEMBL. 20303767
IC50 (binding) = 1.1 uM Activity against Farnesyltransferase ChEMBL. 9301658
IC50 (functional) = 2.45 uM Cytotoxicity against human HeLa cells ChEMBL. 20303767
IC50 (functional) = 3.1 uM Antifungal activity against azole-resistant Candida albicans 99-788 ChEMBL. 16124785
IC50 (functional) = 3.6 uM Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 ChEMBL. 20303767
IC50 (binding) = 6.4 uM Inhibition of HMT-G9a using S-adenosylmethionine and biotinylated H3 peptide after 1 hr ChEMBL. 22148349
IC50 (binding) = 17 uM Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I ChEMBL. 14552752
IC50 (binding) = 17 uM Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I ChEMBL. 14552752
IC50 (binding) = 50 uM Inhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidase ChEMBL. 20303767
IC50 (binding) = 80 uM Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase ChEMBL. 14552752
IC50 (binding) = 80 uM Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase ChEMBL. 14552752
Inhibition (binding) Inhibition of HIF-1alpha in human HCT116 cells assessed as decrease in LDHA mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HIF-1alpha in human PC3 cells assessed as decrease in VEGF mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HIF-1alpha in human PC3 cells assessed as decrease in ENO1 mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HIF-1alpha in human HCT116 cells assessed as decrease in ENO1 mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HIF-1alpha in human PC3 cells assessed as decrease in LDHA mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HIF-1alpha in human HCT116 cells assessed as decrease in VEGF mRNA expression level LITERATURE. 27140429
Inhibition (binding) Inhibition of HMT-set7/9 using S-adenosylmethionine and biotinylated H3 peptide at 100 uM after 1 hr ChEMBL. 22148349
Inhibition (binding) = -11.27 % Inhibition of electric eel AChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Inhibition (binding) = 10.3 % Inhibition of horse BChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
LD50 (ADMET) = 17.9 mg kg-1 Toxicity in ip dosed ddY mouse ChEMBL. 20303767
MIC (functional) = 0.06 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in CYS3 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 0.06 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in MEF2 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 0.125 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in YKL037W gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against wild type Saccharomyces cerevisiae BY4741 by broth microdilution method ChEMBL. 18212113
MIC (functional) = 2 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in IFA38 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 2 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in OP11 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 4 ug ml-1 Antifungal activity against Candida albicans after 24 hrs by NCCLS M27-P broth macrodilution method ChEMBL. 21761939
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in SNF1 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in RTG2 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in APL2 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in RAD18 gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in YGL235W gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in YLR456W gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 16 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in YOR345C gene by broth microdilution method ChEMBL. 18212113
MIC (functional) = 16 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae containing disruption in YGL072C gene by broth microdilution method ChEMBL. 18212113
Potency (functional) = 0.0447 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 20303767
Plasmodium falciparum 20303767
Homo sapiens ChEMBL23 16124785
Candida albicans ChEMBL23 16124785
Mus musculus ChEMBL23 22148349

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium tuberculosis 257019  
Annotator: crowther@u.washington.edu Comment: 2007-12-26 References: 11388862 12538025
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium smegmatis 257019  
Annotator: crowther@u.washington.edu Comment: 2007-12-26 References: 12538025

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

10 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.