Detailed information for compound 1405576

Basic information

Technical information
  • TDR Targets ID: 1405576
  • Name: 3-cyclohexyl-6-(phenoxymethyl)-[1,2,4]triazol o[3,4-b][1,3,4]thiadiazole
  • MW: 314.405 | Formula: C16H18N4OS
  • H donors: 0 H acceptors: 3 LogP: 3.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)c1nnc2n1nc(s2)COc1ccccc1
  • InChi: 1S/C16H18N4OS/c1-3-7-12(8-4-1)15-17-18-16-20(15)19-14(22-16)11-21-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2
  • InChiKey: XSDPCCRMXOGBLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ST5422296
  • MLS000081197
  • SMR000044614
  • ZINC00537692

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.01 0.0143 0.0102
Trichomonas vaginalis cyclin B, putative 0.0093 0.0121 0.0085
Schistosoma mansoni N-myristoyltransferase 0.0173 0.0376 0.0336
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus granulosus cyclins 0.0093 0.0121 0.0079
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Toxoplasma gondii histone lysine-specific demethylase 0.0098 0.0136 0.3405
Echinococcus multilocularis 0.2475 0.78 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Brugia malayi Tachykinin-like peptides receptor 99D 0.0291 0.0758 0.0719
Schistosoma mansoni serine-type protease inhibitor 0.043 0.1206 0.1169
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0682 0.2019 0.1985
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus granulosus cyclins 0.0093 0.0121 0.0079
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0098 0.0136 0.0584
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.0458 0.0686
Echinococcus granulosus lysine specific histone demethylase 1A 0.0483 0.1376 0.134
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Schistosoma mansoni furin-1 (S08 family) 0.1487 0.4615 0.4593
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Trypanosoma cruzi N-myristoyl transferase, putative 0.0173 0.0376 1
Brugia malayi N-myristoyltransferase 2 0.0173 0.0376 0.0336
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0151 0.0305 1
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0305 0.0414
Brugia malayi Pre-SET motif family protein 0.0251 0.063 0.059
Echinococcus granulosus lysine specific histone demethylase 1A 0.0098 0.0136 0.0094
Leishmania major subtilisin-like serine peptidase 0.0151 0.0305 0.7048
Trichomonas vaginalis N-myristoyl transferase, putative 0.0114 0.0185 0.0201
Trichomonas vaginalis cyclin B, putative 0.015 0.0301 0.0407
Loa Loa (eye worm) hypothetical protein 0.0178 0.0392 0.0392
Brugia malayi celfurPC protein 0.2475 0.78 0.7791
Schistosoma mansoni serine-type protease inhibitor 0.043 0.1206 0.1169
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0187 0.0424 0.0424
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.0042 0.0042
Echinococcus granulosus Furin 1 0.088 0.2658 0.2627
Trichomonas vaginalis cyclin B3, putative 0.0093 0.0121 0.0085
Onchocerca volvulus 0.015 0.0301 0.1771
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0093 0.0121 0.0079
Trypanosoma cruzi cyclin, putative 0.015 0.0301 0.6883
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1821 0.569 1
Trichomonas vaginalis cyclin D, putative 0.0093 0.0121 0.0085
Onchocerca volvulus 0.0171 0.037 0.224
Toxoplasma gondii subtilisin SUB5 0.0151 0.0305 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.088 0.2658 0.2627
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0483 0.1376 0.1376
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0305 0.0414
Echinococcus multilocularis Furin 1 0.088 0.2658 0.3372
Plasmodium falciparum subtilisin-like protease 1 0.0151 0.0305 0.722
Entamoeba histolytica cyclin, putative 0.015 0.0301 0.7065
Loa Loa (eye worm) hypothetical protein 0.0291 0.0758 0.0758
Brugia malayi Furin-like cysteine rich region family protein 0.0389 0.1072 0.1035
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0742 0.1191
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Plasmodium vivax subtilisin-like protease 1 0.0151 0.0305 0.7048
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0305 0.0414
Schistosoma mansoni cyclins 0.0093 0.0121 0.0079
Trichomonas vaginalis cyclin A, putative 0.015 0.0301 0.0407
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0151 0.0305 1
Trypanosoma brucei mitotic cyclin 6 0.015 0.0301 0.6782
Echinococcus granulosus cyclin b3 0.0093 0.0121 0.0079
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.015 0.0301 0.6883
Loa Loa (eye worm) hypothetical protein 0.0098 0.0136 0.0136
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.063 0.063
Echinococcus multilocularis cyclin B 0.015 0.0301 0.0335
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Toxoplasma gondii subtilisin SUB8 0.0151 0.0305 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0098 0.0136 0.0584
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0093 0.0121 0.0102
Echinococcus granulosus cyclins 0.0093 0.0121 0.0079
Loa Loa (eye worm) peptidase family M1 containing protein 0.0093 0.0119 0.0119
Onchocerca volvulus 0.0187 0.0424 0.2607
Toxoplasma gondii subtilisin SUB4 0.0151 0.0305 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0187 0.0424 0.0384
Onchocerca volvulus 0.0524 0.1507 1
Schistosoma mansoni cyclin B 0.015 0.0301 0.0261
Giardia lamblia CDC72 0.0173 0.0376 0.0887
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1821 0.569 0.5672
Loa Loa (eye worm) proprotein convertase 2 0.088 0.2658 0.2658
Leishmania major N-myristoyl transferase, putative 0.0173 0.0376 1
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0151 0.0305 0.7048
Echinococcus granulosus aminopeptidase N 0.0115 0.019 0.0149
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Echinococcus granulosus cyclin B 0.015 0.0301 0.0261
Plasmodium vivax subtilisin-like protease 2, putative 0.0151 0.0305 0.7048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trypanosoma cruzi cyclin 6, putative 0.015 0.0301 0.6883
Schistosoma mansoni cyclin B3 0.0093 0.0121 0.0079
Brugia malayi hypothetical protein 0.0098 0.0136 0.0094
Trichomonas vaginalis hypothetical protein 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis cyclins, putative 0.015 0.0301 0.0407
Trypanosoma cruzi CYC2-like cyclin, putative 0.015 0.0301 0.6883
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0098 0.0136 0.3405
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0483 0.1376 0.1719
Trichomonas vaginalis cyclin B, putative 0.015 0.0301 0.0407
Trypanosoma brucei subtilisin peptidase 0.0151 0.0305 0.6953
Trichomonas vaginalis cyclin B, putative 0.015 0.0301 0.0407
Toxoplasma gondii subtilisin SUB11 0.0151 0.0305 1
Loa Loa (eye worm) N-myristoyltransferase 2 0.0173 0.0376 0.0376
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Schistosoma mansoni amine oxidase 0.0098 0.0136 0.0094
Brugia malayi neuroendocrine convertase 1 precursor 0.2517 0.7935 0.7926
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0483 0.1376 0.134
Loa Loa (eye worm) hypothetical protein 0.0103 0.0152 0.0152
Plasmodium vivax subtilisin-like serine protease, putative 0.0151 0.0305 0.7048
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0069 0.0042 0.0042
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0151 0.0305 0.034
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.073 0.2172 0.3737
Toxoplasma gondii subtilisin SUB9 0.0151 0.0305 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0069 0.0042 0.0042
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0151 0.0305 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Leishmania major cyclin 0.015 0.0301 0.6883
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Brugia malayi amine oxidase, flavin-containing family protein 0.0139 0.0267 0.0226
Loa Loa (eye worm) cyclin domain-containing protein 0.0093 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Schistosoma mansoni amine oxidase 0.0098 0.0136 0.0094
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0151 0.0305 0.0265
Toxoplasma gondii subtilisin SUB1 0.0151 0.0305 1
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus multilocularis cyclin b3 0.0093 0.0121 0.0102
Brugia malayi Myb-like DNA-binding domain containing protein 0.0173 0.0376 0.0336
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1821 0.569 1
Loa Loa (eye worm) hypothetical protein 0.0524 0.1507 0.1507
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Brugia malayi Cyclin, N-terminal domain containing protein 0.015 0.0301 0.0261
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0173 0.0376 1
Brugia malayi proprotein convertase 2 0.2217 0.6968 0.6955
Giardia lamblia G2/mitotic-specific cyclin B 0.015 0.0301 0.0627
Schistosoma mansoni site-1 peptidase (S08 family) 0.0151 0.0305 0.0265
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Echinococcus multilocularis cyclin B3 1 0.0093 0.0121 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Giardia lamblia High cysteine membrane protein Group 2 0.0988 0.3004 1
Toxoplasma gondii subtilisin SUB7 0.0151 0.0305 1
Echinococcus granulosus cyclins 0.0093 0.0121 0.0079
Chlamydia trachomatis protoporphyrinogen oxidase 0.0098 0.0136 0.5
Trypanosoma cruzi subtilisin peptidase 0.0151 0.0305 0.7048
Onchocerca volvulus 0.0286 0.0742 0.4775
Toxoplasma gondii subtilisin SUB2 0.0151 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0347 0.0939 0.0939
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0151 0.0305 1
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0151 0.0305 1
Trichomonas vaginalis cyclins, putative 0.015 0.0301 0.0407
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0305 0.0414
Echinococcus multilocularis aminopeptidase N 0.0115 0.019 0.0191
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Plasmodium falciparum subtilisin-like protease 2 0.0151 0.0305 0.722
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.0121 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Onchocerca volvulus CoRest homolog 0.0178 0.0392 0.2392
Trypanosoma brucei N-myristoyl transferase, putative 0.0173 0.0376 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0151 0.0305 0.6953
Loa Loa (eye worm) hypothetical protein 0.1384 0.4282 0.4282
Loa Loa (eye worm) TK/EGFR protein kinase 0.0389 0.1072 0.1072
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis N-myristoyl transferase, putative 0.0173 0.0376 0.0541
Loa Loa (eye worm) hypothetical protein 0.0173 0.0376 0.0376
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.0042 0.0042
Echinococcus granulosus epidermal growth factor receptor 0.0389 0.1072 0.1035
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis cyclin B, putative 0.015 0.0301 0.0407
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Trypanosoma cruzi N-myristoyl transferase, putative 0.0173 0.0376 1
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0151 0.0305 1
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0173 0.0376 1
Brugia malayi SWIRM domain containing protein 0.0524 0.1507 0.1472
Trypanosoma brucei N-myristoyltransferase 0.0173 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0267 0.0267
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0151 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Brugia malayi Cyclin, N-terminal domain containing protein 0.0093 0.0121 0.0079
Echinococcus granulosus cyclin B3 1 0.0093 0.0121 0.0079
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis cyclins, putative 0.015 0.0301 0.0407
Brugia malayi Cyclin, N-terminal domain containing protein 0.015 0.0301 0.0261
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0151 0.0305 0.0265
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Loa Loa (eye worm) hypothetical protein 0.015 0.0301 0.0301
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0173 0.0376 0.0336
Trichomonas vaginalis cyclins, putative 0.015 0.0301 0.0407
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0151 0.0305 0.7048
Mycobacterium leprae Possible secreted protease 0.0151 0.0305 1
Trichomonas vaginalis cyclin D, putative 0.0093 0.0121 0.0085
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Brugia malayi Peptidase family M1 containing protein 0.0115 0.019 0.0149
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) subtilase 0.0151 0.0305 0.0305
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0305 0.0414
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0098 0.0136 0.0136
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0173 0.0376 0.0431
Toxoplasma gondii subtilisin SUB6 0.0151 0.0305 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0151 0.0305 0.0265
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0198 0.0458 0.0418
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Giardia lamblia Furin precursor putative serine protease 0.073 0.2172 0.7113
Loa Loa (eye worm) TYRA-2 protein 0.0069 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus granulosus cyclins 0.0093 0.0121 0.0079
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0187 0.0424 0.0424
Echinococcus multilocularis epidermal growth factor receptor 0.0389 0.1072 0.1328
Onchocerca volvulus 0.0151 0.0305 0.1798
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Schistosoma mansoni tyrosine kinase 0.0389 0.1072 0.1035
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Toxoplasma gondii subtilisin SUB12 0.0151 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0483 0.1376 0.1376
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0069 0.0042 0.0042
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0098 0.0136 0.0584
Brugia malayi Subtilase family protein 0.0151 0.0305 0.0265
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0173 0.0376 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0151 0.0305 0.0265
Toxoplasma gondii subtilisin SUB10 0.0151 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Onchocerca volvulus 0.0115 0.019 0.1012
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0098 0.0136 0.0094
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0187 0.0424 0.0384
Echinococcus granulosus neuroendocrine convertase 2 0.2217 0.6968 0.6955
Trichomonas vaginalis cyclins, putative 0.0093 0.0121 0.0085
Echinococcus multilocularis neuroendocrine convertase 2 0.2217 0.6968 0.8927
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Echinococcus multilocularis cyclins 0.0093 0.0121 0.0102
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1821 0.569 0.728
Echinococcus multilocularis membrane bound transcription factor site 1 0.0151 0.0305 0.034
Loa Loa (eye worm) hypothetical protein 0.0151 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0151 0.0305 1
Plasmodium falciparum subtilisin-like protease 3 0.0151 0.0305 0.722
Echinococcus granulosus neuropeptide FF receptor 2 0.0291 0.0758 0.0719
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Echinococcus granulosus membrane bound transcription factor site 1 0.0151 0.0305 0.0265
Loa Loa (eye worm) hypothetical protein 0.015 0.0301 0.0301
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.073 0.2172 0.3737
Echinococcus multilocularis protoporphyrinogen oxidase 0.0098 0.0136 0.0121
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0151 0.0305 0.0265
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0151 0.0305 1
Echinococcus multilocularis 0.0098 0.0136 0.0121
Brugia malayi Trypsin family protein 0.0187 0.0424 0.0384
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.088 0.2658 0.4602
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0151 0.0305 0.7048
Echinococcus multilocularis neuropeptide FF receptor 2 0.0291 0.0758 0.0923
Onchocerca volvulus 0.0078 0.0072 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0682 0.2019 0.3465
Loa Loa (eye worm) hypothetical protein 0.0069 0.0042 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0305 0.0414
Trypanosoma cruzi cyclin, putative 0.015 0.0301 0.6883

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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