Detailed information for compound 422186

Basic information

Technical information
  • TDR Targets ID: 422186
  • Name: 4-(3-benzoylphenyl)-1,3-thiazole-5-carboxamid e
  • MW: 308.354 | Formula: C17H12N2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)c1cccc(c1)c1ncsc1C(=O)N
  • InChi: 1S/C17H12N2O2S/c18-17(21)16-14(19-10-22-16)12-7-4-8-13(9-12)15(20)11-5-2-1-3-6-11/h1-10H,(H2,18,21)
  • InChiKey: WHIUTTDGNRPWQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-benzoylphenyl)thiazole-5-carboxamide
  • 4-(3-benzoylphenyl)-5-thiazolecarboxamide
  • 4-[3-(phenylcarbonyl)phenyl]-1,3-thiazole-5-carboxamide
  • 4-[3-(benzoyl)phenyl]-1,3-thiazole-5-carboxamide
  • 4-[3-(benzoyl)phenyl]thiazole-5-carboxamide
  • 4-[3-(oxo-phenylmethyl)phenyl]-5-thiazolecarboxamide
  • 4-(3-phenylcarbonylphenyl)-1,3-thiazole-5-carboxamide
  • 5-Thiazolecarboxamide, 4-(3-benzoylphenyl)-
  • AIDS-472901
  • AIDS472901

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans hypothetical protein Reverse transcriptase   259 aa 223 aa 29.1 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Candida albicans polyprotein of retrotransposon Tca8 Reverse transcriptase   259 aa 238 aa 26.5 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 208 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 226 aa 24.3 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 245 aa 25.7 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 222 aa 22.5 %
Trypanosoma congolense Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative Reverse transcriptase   259 aa 237 aa 29.1 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Candida albicans ReverseTranscriptase similar to fruit fly Tom element Reverse transcriptase   259 aa 244 aa 27.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0069 0.0449 0.0426
Brugia malayi DNA polymerase alpha catalytic subunit 0.0045 0.0225 0.0203
Schistosoma mansoni integrin alpha-ps 0.0071 0.0473 0.0473
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.086 0.084
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0032 0.0008
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0032 0.0008
Loa Loa (eye worm) integrin beta-2 0.0625 0.5796 0.5782
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0126 0.0094
Chlamydia trachomatis peptide deformylase 0.0447 0.4084 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0112 0.086 0.086
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0496 0.0466
Loa Loa (eye worm) inositol-1 0.0074 0.0496 0.0466
Trypanosoma brucei prolyl endopeptidase 0.1063 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0112 0.086 0.0831
Brugia malayi Bromodomain containing protein 0.0037 0.0148 0.0126
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0423 0.385 0.9408
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0032 0.0008
Echinococcus multilocularis prolyl endopeptidase 0.1063 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.0217
Schistosoma mansoni integrin alpha 0.0305 0.2722 0.2722
Loa Loa (eye worm) hypothetical protein 0.0095 0.0702 0.0672
Loa Loa (eye worm) hypothetical protein 0.0066 0.0419 0.0388
Plasmodium falciparum peptidase, putative 0.0112 0.086 0.1282
Toxoplasma gondii hypothetical protein 0.0079 0.0546 0.0515
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0496 0.0496
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0363
Loa Loa (eye worm) integrin alpha pat-2 0.0471 0.431 0.4292
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0447 0.4084 1
Schistosoma mansoni hypothetical protein 0.0066 0.0419 0.0419
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.086 0.084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.024 0.2091 0.2066
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2002 0.2002
Loa Loa (eye worm) beta-lactamase 0.0035 0.0126 0.0094
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0496 0.0935
Schistosoma mansoni integrin alpha-ps 0.0137 0.1104 0.1104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0217 0.0217
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0447 0.4084 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0698 0.6492 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Echinococcus granulosus integrin alpha ps 0.0066 0.0419 0.0419
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1941 0.2062
Echinococcus granulosus integrin alpha 3 0.0234 0.2037 0.2037
Trypanosoma cruzi prolyl endopeptidase 0.1063 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0126 0.0158
Schistosoma mansoni inositol monophosphatase 0.0074 0.0496 0.0496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0077 0.0528 0.0497
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.086 0.0838
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0112 0.086 0.0831
Entamoeba histolytica hypothetical protein, conserved 0.0112 0.086 0.0607
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0496 0.0474
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0952 0.8929 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0112 0.086 0.0986
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0112 0.086 0.0838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0045 0.0225 0.0193
Brugia malayi hypothetical protein 0.0095 0.0702 0.0681
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0126 0.0145
Loa Loa (eye worm) prolyl oligopeptidase 0.0112 0.086 0.0831
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0496 0.0474
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0069 0.0449 0.0426
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0231 0.2009 0.199
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0447 0.4084 0.4496
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0363
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0126 0.0126
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.024 0.0219
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.086 0.084
Mycobacterium ulcerans peptide deformylase 0.0447 0.4084 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0496 0.0474
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0112 0.086 0.086
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0069 0.0449 0.0426
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0386 0.0363
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0112 0.086 0.0838
Leishmania major mitochondrial DNA polymerase beta 0.0334 0.2998 0.2982
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0698 0.6492 0.6481
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.086 0.1293
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0698 0.6492 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0077 0.0528 0.0407
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0126 0.0126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0217 0.0217
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0423 0.385 0.3835
Trypanosoma brucei oligopeptidase b 0.0423 0.385 0.3835
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0112 0.086 0.0607
Trypanosoma cruzi Peptide deformylase 2, putative 0.0171 0.1428 0.1408
Echinococcus multilocularis integrin alpha ps 0.0137 0.1104 0.1104
Mycobacterium tuberculosis Conserved hypothetical protein 0.0103 0.0778 0.0741
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0112 0.086 0.1293
Trypanosoma cruzi Peptide deformylase 2, putative 0.0171 0.1428 0.1408
Loa Loa (eye worm) hypothetical protein 0.0069 0.0451 0.042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Schistosoma mansoni hypothetical protein 0.0173 0.1446 0.1446
Leishmania major hypothetical protein, conserved 0.0025 0.0032 0.0008
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0698 0.6492 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0126 0.0094
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0698 0.6492 0.6492
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0125 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.0217
Toxoplasma gondii hypothetical protein 0.0447 0.4084 0.4065
Brugia malayi hypothetical protein 0.023 0.2002 0.1984
Trypanosoma cruzi oligopeptidase b 0.0423 0.385 0.3835
Trypanosoma cruzi oligopeptidase b 0.0423 0.385 0.3835
Echinococcus multilocularis acylamino acid releasing enzyme 0.0112 0.086 0.086
Mycobacterium tuberculosis Probable peptidase 0.0423 0.385 0.423
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0126 0.0158
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0698 0.6492 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0496 0.073
Echinococcus multilocularis geminin 0.0173 0.1446 0.1446
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0112 0.086 0.0838
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0363
Loa Loa (eye worm) hypothetical protein 0.0112 0.086 0.0831
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0112 0.086 0.0743
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0423 0.385 0.3835
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0126 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.086 0.0838
Mycobacterium ulcerans hypothetical protein 0.0103 0.0778 0.1648
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0126 0.0158
Trichomonas vaginalis esterase, putative 0.0035 0.0126 0.0158
Echinococcus multilocularis integrin alpha ps 0.0137 0.1104 0.1104
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0698 0.6492 0.6484
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0126 0.0103
Loa Loa (eye worm) hypothetical protein 0.023 0.2002 0.1976
Loa Loa (eye worm) hypothetical protein 0.0698 0.6492 0.6481
Echinococcus granulosus eukaryotic initiation factor 4A 0.0698 0.6492 0.6492
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0423 0.385 0.3835
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0496 0.0474
Schistosoma mansoni hypothetical protein 0.0173 0.1446 0.1446
Toxoplasma gondii prolyl endopeptidase 0.1063 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.0593 0.0571
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0056 0.0326 0.0326
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0698 0.6492 1
Brugia malayi beta-lactamase family protein 0.0035 0.0126 0.0104
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0217 0.0195
Echinococcus granulosus integrin beta 2 0.0463 0.4239 0.4239
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0126 0.0126
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0112 0.086 0.0831
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Echinococcus granulosus prolyl endopeptidase 0.1063 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0334 0.2998 0.2982
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0496 0.073
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0112 0.086 0.0838
Leishmania major hypothetical protein, conserved 0.0035 0.0126 0.0103
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0171 0.1428 0.1408
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0698 0.6492 0.6492
Schistosoma mansoni bromodomain containing protein 0.0062 0.0381 0.0381
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0112 0.086 0.086
Giardia lamblia Alanyl dipeptidyl peptidase 0.0112 0.086 0.0986
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0112 0.086 0.086
Brugia malayi Kelch motif family protein 0.0095 0.0702 0.0681
Brugia malayi Bromodomain containing protein 0.0073 0.0491 0.047
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0231 0.2007 0.199
Loa Loa (eye worm) hypothetical protein 0.0231 0.2007 0.1982
Loa Loa (eye worm) hypothetical protein 0.1063 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0171 0.1428 0.1408
Leishmania major polypeptide deformylase-like protein, putative 0.0171 0.1428 0.1408
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.086 0.0607
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0126 0.0104
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0698 0.6492 0.7231
Trypanosoma brucei Polypeptide deformylase 1 0.0171 0.1428 0.1408
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0126 0.0158
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0698 0.6492 0.6492
Plasmodium vivax peptide deformylase, putative 0.0447 0.4084 0.6273
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0363
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Brugia malayi beta-lactamase family protein 0.0035 0.0126 0.0104
Brugia malayi hypothetical protein 0.0025 0.0032 0.001
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0363
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.086 0.084
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1063 1 1
Plasmodium falciparum peptide deformylase 0.0447 0.4084 0.6273
Brugia malayi Inositol-1 0.0074 0.0496 0.0475
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0056 0.0326 0.0326
Schistosoma mansoni integrin beta subunit 0.0368 0.3326 0.3326
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0423 0.385 0.9408
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.086 0.0607
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0231 0.2009 0.199
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0112 0.086 0.0838
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0334 0.0312
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0069 0.0449 0.0426
Brugia malayi eukaryotic initiation factor 4A 0.0698 0.6492 0.6484
Brugia malayi beta-lactamase 0.0035 0.0126 0.0104
Onchocerca volvulus Prolyl endopeptidase homolog 0.1063 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0698 0.6492 0.6447
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0698 0.6492 0.6484
Echinococcus granulosus integrin alpha ps 0.0137 0.1104 0.1104
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0496 0.0496
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2002 0.2002
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0117
Leishmania major oligopeptidase b 0.0423 0.385 0.3835
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0423 0.385 0.423
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1063 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0112 0.086 0.086
Trypanosoma brucei Peptide deformylase 2 0.0171 0.1428 0.1408
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0231 0.2009 0.199
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0423 0.385 0.3835
Plasmodium falciparum eukaryotic initiation factor 4A 0.0698 0.6492 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1063 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0045 0.0225 0.0298
Echinococcus granulosus Dipeptidyl peptidase 9 0.0112 0.086 0.086
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0112 0.086 0.0607
Echinococcus multilocularis integrin beta 2 0.0463 0.4239 0.4239
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0334 0.2998 0.2982
Echinococcus granulosus acylamino acid releasing enzyme 0.0112 0.086 0.086
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.0422 0.0748
Leishmania major eukaryotic initiation factor 4a, putative 0.0698 0.6492 0.6484
Echinococcus granulosus geminin 0.0173 0.1446 0.1446
Treponema pallidum ATP-dependent RNA helicase 0.0698 0.6492 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0348 0.0348
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0042 0.0188 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0126 0.0103
Brugia malayi Integrin beta pat-3 precursor 0.0625 0.5796 0.5787
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0126 0.0103
Schistosoma mansoni inositol monophosphatase 0.0074 0.0496 0.0496
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0422 0.0336
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0363
Trypanosoma brucei prolyl oligopeptidase, putative 0.0423 0.385 0.3835
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0496 0.073
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0126 0.0126
Brugia malayi Integrin alpha pat-2 precursor 0.0305 0.2722 0.2706
Echinococcus multilocularis integrin alpha ps 0.0066 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0139
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0698 0.6492 0.6484
Echinococcus multilocularis integrin alpha 3 0.0234 0.2037 0.2037
Trypanosoma brucei RNA helicase, putative 0.0167 0.139 0.1369
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0698 0.6492 0.6492
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0056 0.0326 0.0326
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0258 0.0235
Plasmodium vivax RNA helicase-1, putative 0.0698 0.6492 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0112 0.086 0.086
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0334 0.2998 0.2982
Schistosoma mansoni hypothetical protein 0.0047 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Leishmania major eukaryotic initiation factor 4a, putative 0.0698 0.6492 0.6484
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0112 0.086 0.086
Plasmodium vivax hypothetical protein, conserved 0.0112 0.086 0.1282
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0094
Schistosoma mansoni survival motor neuron protein 0.0047 0.024 0.024
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Onchocerca volvulus 0.0047 0.024 0.0116
Schistosoma mansoni hypothetical protein 0.0167 0.139 0.139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0112 0.086 0.0831
Loa Loa (eye worm) hypothetical protein 0.0168 0.1407 0.1379
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.086 0.0607
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0095 0.0702 0.0672
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0112 0.086 0.0838
Toxoplasma gondii hypothetical protein 0.0112 0.086 0.0831
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0363
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0217 0.0186
Loa Loa (eye worm) hypothetical protein 0.0071 0.0473 0.0443
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0348 0.0348
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0698 0.6492 0.6492
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0112 0.086 0.1293

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 312 uM Cytotoxicity against Jurkat cells by XTT assay ChEMBL. 17458947
CC50 (ADMET) > 312 uM Cytotoxicity against Jurkat cells by XTT assay ChEMBL. 17458947
IC50 (binding) = 16.3 uM Inhibition of DNA polymerase activity of HIV1 reverse transcriptase ChEMBL. 17458947
IC50 (binding) = 16.3 uM Inhibition of DNA polymerase activity of HIV1 reverse transcriptase ChEMBL. 17458947
IC50 (binding) = 77 uM Inhibition of RNase H activity of HIV1 reverse transcriptase ChEMBL. 17458947

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

1 literature reference was collected for this gene.

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