Detailed information for compound 1199938

Basic information

Technical information
  • TDR Targets ID: 1199938
  • Name: N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]- 2-methylpropanamide
  • MW: 229.299 | Formula: C9H15N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCc1nnc(s1)NC(=O)C(C)C
  • InChi: 1S/C9H15N3O2S/c1-6(2)8(13)10-9-12-11-7(15-9)4-5-14-3/h6H,4-5H2,1-3H3,(H,10,12,13)
  • InChiKey: VKZTYDUXYMGIDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-propanamide
  • N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-propionamide
  • SMR000436371
  • ZINC02425262
  • MLS000332987
  • N-[5-(2-Methoxy-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 0.336 0.4093
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0597 0.1014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0285 0.0347
Toxoplasma gondii exonuclease III APE 0.0023 0.0597 0.1914
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0048 0.1913 0.4764
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0285 0.0285
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0048 0.1913 1
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.2005 0.5593
Loa Loa (eye worm) ctsf protein 0.0017 0.0285 0.0347
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0285 0.4777
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6875 0.8374
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0048 0.1913 0.4764
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0597 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0048 0.1913 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0048 0.1913 0.4764
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Schistosoma mansoni hypothetical protein 0.0048 0.1913 0.1913
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0285 0.0285
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0597 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0048 0.1913 0.5295
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0048 0.1913 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium leprae putative cytochrome p450 0.0048 0.1913 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.2708 0.7879
Leishmania major cathepsin L-like protease 0.0064 0.2708 0.7879
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0048 0.1913 1
Echinococcus granulosus cathepsin l1 0.0017 0.0285 0.0285
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0285 0.0285
Loa Loa (eye worm) CYP4Cod1 0.0076 0.336 0.4093
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0048 0.1913 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6875 0.8374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0048 0.1913 0.4764
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0285 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0048 0.1913 0.4764
Schistosoma mansoni cytochrome P450 0.0048 0.1913 0.1913
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0285 1
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.2708 0.7879
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.2708 0.7879
Echinococcus multilocularis geminin 0.0205 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Leishmania major cathepsin L-like protease 0.0064 0.2708 0.7879
Trypanosoma brucei cytochrome P450, putative 0.0076 0.336 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0597 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0285 0.0347
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0285 0.0347
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Brugia malayi Cytochrome P450 family protein 0.0076 0.336 0.4093
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0048 0.1913 0.4764
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0048 0.1913 0.4764
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0048 0.1913 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0048 0.1913 1
Echinococcus multilocularis 0.0048 0.1913 0.1676
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0048 0.1913 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.087 0.1059
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0048 0.1913 0.4764
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0048 0.1913 0.4764
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0285 1
Brugia malayi cytochrome P450 0.0048 0.1913 0.2331
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0597 0.0727
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0048 0.1913 0.4764
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0597 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Trypanosoma cruzi cytochrome P450, putative 0.0076 0.336 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 0.336 0.4093
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0048 0.1913 0.4764
Brugia malayi Cathepsin L-like precursor 0.0017 0.0285 0.0347
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0597 0.0321
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0048 0.1913 1
Brugia malayi Cytochrome P450 family protein 0.0076 0.336 0.4093
Brugia malayi Cytochrome P450 family protein 0.017 0.821 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.2423 0.6952
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.2708 0.7879
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0048 0.1913 0.4764
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0048 0.1913 0.4764
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.821 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0285 0.0347
Onchocerca volvulus 0.0017 0.0285 1
Loa Loa (eye worm) cytochrome P450 0.0048 0.1913 0.2331
Mycobacterium leprae Conserved hypothetical protein 0.0048 0.1913 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0048 0.1913 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0048 0.1913 0.4764
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0285 0.0285
Loa Loa (eye worm) cysteine protease 0.0017 0.0285 0.0347
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0597 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Onchocerca volvulus 0.0017 0.0285 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0048 0.1913 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0597 1
Leishmania major cytochrome p450-like protein 0.0048 0.1913 0.5295
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0048 0.1913 0.4764
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0285 0.4777
Onchocerca volvulus 0.0017 0.0285 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0048 0.1913 0.4764
Leishmania major cytochrome p450-like protein 0.0048 0.1913 0.5295
Schistosoma mansoni ap endonuclease 0.0023 0.0597 0.0597
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0597 0.5
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0048 0.1913 0.4764
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0048 0.1913 0.5295
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0076 0.336 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0048 0.1913 1
Leishmania major cathepsin L-like protease 0.0064 0.2708 0.7879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0285 0.4777
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0597 0.0727
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0048 0.1913 0.4764
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0048 0.1913 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0048 0.1913 0.4764
Entamoeba histolytica cysteine protease, putative 0.0017 0.0285 0.4777
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0048 0.1913 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0048 0.1913 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0285 0.4777
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0048 0.1913 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0048 0.1913 1
Onchocerca volvulus 0.0017 0.0285 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Leishmania major cytochrome p450-like protein 0.0076 0.336 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Brugia malayi MH2 domain containing protein 0.0144 0.6875 0.8374
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0048 0.1913 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0048 0.1913 0.5295
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0048 0.1913 1
Onchocerca volvulus 0.0017 0.0285 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0285 0.4777
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0048 0.1913 0.5295
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Echinococcus granulosus cytochrome P450 2K1 0.0048 0.1913 0.1913
Onchocerca volvulus 0.0017 0.0285 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0597 0.1014
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Loa Loa (eye worm) fibroinase 0.0017 0.0285 0.0347
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0048 0.1913 0.4764
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0048 0.1913 0.4764
Trypanosoma cruzi cytochrome P450, putative 0.0076 0.336 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0597 0.0597
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0048 0.1913 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0285 0.4777
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0597 0.1014
Brugia malayi Cytochrome P450 family protein 0.0048 0.1913 0.2331
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.2708 0.764
Onchocerca volvulus 0.0017 0.0285 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0048 0.1913 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0631 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2311 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 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) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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