Detailed information for compound 1447052

Basic information

Technical information
  • TDR Targets ID: 1447052
  • Name: 4-[4-[3-[(1-dimethylaminocyclohexyl)methylami no]-2-hydroxypropoxy]phenyl]butan-2-one; oxal ic acid
  • MW: 466.568 | Formula: C24H38N2O7
  • H donors: 4 H acceptors: 6 LogP: -2.38 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.OC(COc1ccc(cc1)CCC(=O)C)CNCC1(CCCCC1)N(C)C
  • InChi: 1S/C22H36N2O3.C2H2O4/c1-18(25)7-8-19-9-11-21(12-10-19)27-16-20(26)15-23-17-22(24(2)3)13-5-4-6-14-22;3-1(4)2(5)6/h9-12,20,23,26H,4-8,13-17H2,1-3H3;(H,3,4)(H,5,6)
  • InChiKey: WSDBROGMWKTSIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-[3-[(1-dimethylaminocyclohexyl)methylamino]-2-hydroxy-propoxy]phenyl]butan-2-one; oxalic acid
  • 4-[4-[3-[(1-dimethylaminocyclohexyl)methylamino]-2-hydroxy-propoxy]phenyl]butan-2-one; ethanedioic acid
  • T5300173

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
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 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cathepsin L-like precursor 0.0577 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0386 0.6308 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine proteinase 2 0.0297 0.4585 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0297 0.4585 0.4054
Loa Loa (eye worm) hypothetical protein 0.0191 0.2524 0.2524
Plasmodium vivax unspecified product 0.0191 0.2524 0.1791
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0107 0.0893 0.0307
Toxoplasma gondii cathepsin CPL 0.0577 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1063 0.0186
Echinococcus granulosus cathepsin l1 0.0386 0.6308 0.5946
Leishmania major cathepsin L-like protease 0.0577 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0191 0.2524 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0297 0.4585 0.4054
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0107 0.0893 0.0893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Brugia malayi Cathepsin L-like precursor 0.0386 0.6308 0.5946
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Onchocerca volvulus Cathepsin F homolog 0.0577 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Onchocerca volvulus Cathepsin L homolog 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.566 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2791 0.2327
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0239 0.0239
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.4585 0.4237
Echinococcus granulosus cathepsin l1 0.0577 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0577 1 1
Leishmania major cysteine peptidase A (CPA) 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0386 0.6308 0.5946
Schistosoma mansoni cathepsin S (C01 family) 0.0107 0.0893 0.0307
Trypanosoma cruzi cysteine peptidase, putative 0.0191 0.2524 0.1791
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2168 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0297 0.4585 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Brugia malayi jmjC domain containing protein 0.0115 0.1063 0.0186
Brugia malayi Cathepsin L-like precursor 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Leishmania major cathepsin L-like protease 0.0577 1 1
Onchocerca volvulus 0.0386 0.6308 0.5946
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0577 1 1
Plasmodium vivax vivapain-2 0.0577 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0297 0.4585 0.4054
Leishmania major cathepsin L-like protease 0.0577 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0297 0.4585 0.4054
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1063 0.0186
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Onchocerca volvulus 0.0577 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0577 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0191 0.2524 0.1791
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Loa Loa (eye worm) fibroinase 0.0577 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2168 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Echinococcus multilocularis cathepsin L 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0386 0.6308 0.5946
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0577 1 1
Leishmania major cathepsin L-like protease 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Brugia malayi Cathepsin L-like precursor 0.0191 0.2524 0.1791
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0107 0.0893 0.0307
Schistosoma mansoni cathepsin F (C01 family) 0.0577 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2791 0.2327
Plasmodium vivax vivapain-2 0.0577 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0577 1 1
Trypanosoma cruzi cysteine protease, putative 0.0297 0.4585 0.4054
Plasmodium falciparum cysteine proteinase falcipain 3 0.0577 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.4585 0.4237
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Plasmodium vivax unspecified product 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0577 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0577 1 1
Leishmania major cathepsin L-like protease 0.0577 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Brugia malayi cathepsin L-like precursor 0.0386 0.6308 0.5946
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Trypanosoma cruzi cruzipain precursor, putative 0.0191 0.2524 0.1791
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0386 0.6308 0.5946
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0577 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0577 1 1
Loa Loa (eye worm) cathepsin B 0.0107 0.0893 0.0893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Onchocerca volvulus 0.0577 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0577 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0297 0.4585 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0577 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0107 0.0893 0.0893
Echinococcus granulosus geminin 0.0205 0.2791 0.2084
Brugia malayi Papain family cysteine protease containing protein 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Echinococcus multilocularis geminin 0.0205 0.2791 0.2084
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0107 0.0893 0.0307
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2168 0.5
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Trypanosoma cruzi cruzipain precursor, putative 0.0577 1 1
Echinococcus granulosus cathepsin L 0.0297 0.4585 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0297 0.4585 0.4054
Onchocerca volvulus 0.0577 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0107 0.0893 0.0307
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Onchocerca volvulus Cathepsin L homolog 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0107 0.0893 0.0893
Schistosoma mansoni cathepsin C 0.0107 0.0893 0.0307
Onchocerca volvulus 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0577 1 1
Loa Loa (eye worm) cysteine protease 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Onchocerca volvulus 0.0577 1 1
Brugia malayi Cathepsin L-like precursor 0.0386 0.6308 0.5946
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Onchocerca volvulus 0.0577 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Plasmodium falciparum cysteine proteinase falcipain 1 0.0297 0.4585 0.4054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0297 0.4585 0.4054
Echinococcus granulosus cathepsin L cysteine proteinase 0.0577 1 1
Echinococcus granulosus cysteine protease 0.0297 0.4585 0.4054
Echinococcus multilocularis cysteine protease 0.0577 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Loa Loa (eye worm) hypothetical protein 0.0191 0.2524 0.2524
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Plasmodium vivax vivapain-3 0.0297 0.4585 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.4585 0.4237
Leishmania major cathepsin L-like protease 0.0577 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0577 1 1
Brugia malayi Cathepsin L-like precursor 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0386 0.6308 0.5946
Onchocerca volvulus 0.0577 1 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0107 0.0893 0.0307
Loa Loa (eye worm) hypothetical protein 0.0107 0.0893 0.0893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Echinococcus multilocularis cysteine protease 0.0577 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.6308 0.6308
Leishmania major cathepsin L-like protease 0.0577 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.566 0.5235
Entamoeba histolytica cysteine protease, putative 0.0577 1 1
Schistosoma mansoni cathepsin s 0.0191 0.2524 0.2043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0191 0.2524 0.2524
Plasmodium vivax vivapain-1 0.0297 0.4585 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0297 0.4585 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0577 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0297 0.4585 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0577 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Entamoeba histolytica cysteine proteinase, putative 0.0297 0.4585 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0107 0.0893 0.0307
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0297 0.4585 0.4054
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Brugia malayi Cathepsin L-like precursor 0.0577 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.0893 0.0307
Loa Loa (eye worm) hypothetical protein 0.0191 0.2524 0.2524
Brugia malayi Papain family cysteine protease containing protein 0.0297 0.4585 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0386 0.6308 0.6071
Loa Loa (eye worm) ctsf protein 0.0577 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.6308 0.6308
Entamoeba histolytica cysteine protease, putative 0.0297 0.4585 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0577 1 1
Brugia malayi Cathepsin L-like precursor 0.0577 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.6308 0.6308
Trypanosoma cruzi cysteine peptidase, putative 0.0297 0.4585 0.4054
Leishmania major cathepsin L-like protease 0.0577 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 2.0046 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Giardia lamblia growth inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

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.

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