Detailed information for compound 1457979

Basic information

Technical information
  • TDR Targets ID: 1457979
  • Name: 2-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2 -ylphenol
  • MW: 310.433 | Formula: C20H26N2O
  • H donors: 1 H acceptors: 1 LogP: 4.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(c(c1)CN1CCN(CC1)c1ccccc1)O)C
  • InChi: 1S/C20H26N2O/c1-16(2)17-8-9-20(23)18(14-17)15-21-10-12-22(13-11-21)19-6-4-3-5-7-19/h3-9,14,16,23H,10-13,15H2,1-2H3
  • InChiKey: UIOJEXKUHMUQHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-isopropyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
  • 4-isopropyl-2-[(4-phenyl-1-piperazinyl)methyl]phenol
  • 2-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-phenol
  • 4-Isopropyl-2-(4-phenyl-piperazin-1-ylmethyl)-phenol
  • BAS 00344504
  • MLS000084718
  • SMR000019064
  • Oprea1_120596
  • IDI1_009092
  • Oprea1_177391
  • IFLab1_001225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2199 0.457
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0181 0.0392
Onchocerca volvulus 0.0033 0.0672 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Echinococcus multilocularis RUN 0.0024 0.0327 0.0679
Brugia malayi hypothetical protein 0.0024 0.0327 0.0327
Schistosoma mansoni rab6-interacting 0.0024 0.0327 0.0679
Trypanosoma brucei antigen, putative 0.002 0.0181 0.146
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0181 0.0392
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Loa Loa (eye worm) cysteine protease 0.0026 0.0397 0.0274
Loa Loa (eye worm) hypothetical protein 0.0137 0.4619 0.455
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.1427 0.2966
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0397 0.0826
Onchocerca volvulus 0.0026 0.0397 0.4962
Loa Loa (eye worm) hypothetical protein 0.0026 0.0397 0.0274
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.0397 0.0826
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0055 0.1518 0.3154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0048 0.1241 0.5255
Onchocerca volvulus 0.0026 0.0397 0.4962
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0181 0.0392
Echinococcus multilocularis hypothetical protein 0.002 0.0181 0.0377
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0181 0.0392
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0181 0.0392
Echinococcus granulosus calpain A 0.0055 0.1518 0.3154
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0126 0.0263
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0055 0.1518 0.3154
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.0397 0.0826
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0397 0.0826
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.1518 0.3154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0397 0.3201
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0397 1
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0397 0.086
Echinococcus granulosus cathepsin l1 0.0019 0.0126 0.0263
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0126 0.1018
Echinococcus granulosus cathepsin l1 0.0026 0.0397 0.0826
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0397 0.0826
Onchocerca volvulus 0.0026 0.0397 0.4962
Trypanosoma brucei cysteine peptidase C (CPC) 0.0048 0.1241 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Schistosoma mansoni hypothetical protein 0.0024 0.0327 0.0679
Trypanosoma brucei calpain-like protein, putative 0.002 0.0181 0.146
Toxoplasma gondii cathepsin B 0.0048 0.1241 0.4686
Loa Loa (eye worm) hypothetical protein 0.0033 0.0672 0.0553
Giardia lamblia Cathepsin B precursor 0.0048 0.1241 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0181 0.0392
Onchocerca volvulus 0.0026 0.0397 0.4962
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0048 0.1241 0.258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0397 0.086
Echinococcus granulosus calpain A 0.002 0.0181 0.0377
Schistosoma mansoni calpain C (C02 family) 0.002 0.0181 0.0377
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Schistosoma mansoni polycystin 1-related 0.0024 0.0327 0.0679
Echinococcus granulosus calpain 7 C02 family 0.002 0.0181 0.0377
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0327 0.0679
Plasmodium vivax vivapain-2 0.0026 0.0397 1
Loa Loa (eye worm) fibroinase 0.0026 0.0397 0.0274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2199 0.5
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0397 0.0826
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0327 0.0679
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.1518 0.3154
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0327 0.0203
Onchocerca volvulus 0.0024 0.0327 0.3669
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0126 0.1018
Loa Loa (eye worm) hypothetical protein 0.0053 0.1427 0.1317
Echinococcus granulosus cathepsin b 0.0137 0.4619 0.9601
Echinococcus granulosus calpain 0.002 0.0181 0.0377
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0181 0.146
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.0397 1
Loa Loa (eye worm) calpain 0.002 0.0181 0.0055
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4811 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0126 0.0126
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2199 0.457
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Schistosoma mansoni lipoxygenase 0.0142 0.4811 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.4619 0.9601
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Brugia malayi calpain 7 0.002 0.0181 0.0181
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Loa Loa (eye worm) cathepsin B 0.0048 0.1241 0.1129
Trypanosoma cruzi cruzipain precursor, putative 0.0026 0.0397 0.086
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2199 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0048 0.1241 0.2688
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0327 0.0679
Brugia malayi Doublecortin family protein 0.0024 0.0327 0.0327
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2199 0.5
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2199 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.0397 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0397 0.0274
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0137 0.4619 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.0899 0.1869
Echinococcus granulosus RUN 0.0024 0.0327 0.0679
Giardia lamblia Cathepsin B precursor 0.0048 0.1241 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Leishmania major cysteine peptidase A (CPA) 0.0026 0.0397 0.1071
Schistosoma mansoni lipoxygenase 0.01 0.3191 0.6632
Loa Loa (eye worm) hypothetical protein 0.0024 0.0327 0.0203
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2199 0.457
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0019 0.0126 0.0274
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0327 0.0679
Brugia malayi calpain family protein 1 0.0053 0.1427 0.1427
Brugia malayi calpain family protein 1 0.0053 0.1427 0.1427
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0327 0.8223
Brugia malayi cathepsin B-like cysteine proteinase 0.0137 0.4619 0.4619
Plasmodium vivax vivapain-2 0.0026 0.0397 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0181 0.0377
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Loa Loa (eye worm) hypothetical protein 0.0047 0.12 0.1087
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0126 0.3182
Onchocerca volvulus 0.0026 0.0397 0.4962
Brugia malayi cathepsin L-like precursor 0.0019 0.0126 0.0126
Loa Loa (eye worm) calpain family protein 1 0.0039 0.0899 0.0783
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0181 0.146
Loa Loa (eye worm) hypothetical protein 0.0024 0.0327 0.0203
Echinococcus multilocularis calpain 0.002 0.0181 0.0377
Brugia malayi hypothetical protein 0.0024 0.0327 0.0327
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.4619 0.9601
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0397 0.0274
Echinococcus granulosus calpain 5 0.002 0.0181 0.0377
Schistosoma mansoni loxhd1 0.0024 0.0327 0.0679
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0181 0.0392
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0181 0.0377
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2199 0.457
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0181 0.0377
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0397 0.4962
Trypanosoma brucei calpain-like protein, putative 0.002 0.0181 0.146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Echinococcus multilocularis cathepsin b 0.0137 0.4619 0.9601
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0397 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Brugia malayi Cathepsin L-like precursor 0.0019 0.0126 0.0126
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0397 0.086
Entamoeba histolytica cysteine protease, putative 0.0026 0.0397 1
Loa Loa (eye worm) ctsf protein 0.0026 0.0397 0.0274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Onchocerca volvulus Cathepsin F homolog 0.0026 0.0397 0.4962
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Brugia malayi Cathepsin L-like precursor 0.0026 0.0397 0.0397
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0397 0.0826
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0397 0.4962
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0181 0.0392
Plasmodium vivax calpain, putative 0.002 0.0181 0.456
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.0397 1
Giardia lamblia Cathepsin B precursor 0.0048 0.1241 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2199 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.0126 0.0126
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0048 0.1241 1
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0397 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0397 0.3201
Onchocerca volvulus 0.0024 0.0327 0.3669
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0181 0.0392
Loa Loa (eye worm) hypothetical protein 0.0039 0.0899 0.0783
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0181 0.0392
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0327 0.0679
Echinococcus multilocularis calpain A 0.0055 0.1518 0.3154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0181 0.0377
Echinococcus multilocularis cysteine protease 0.0026 0.0397 0.0826
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus multilocularis cysteine protease 0.0026 0.0397 0.0826
Echinococcus multilocularis cathepsin b 0.0137 0.4619 0.9601
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0397 0.0397
Loa Loa (eye worm) calpain family protein 1 0.0053 0.1427 0.1317
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2199 1
Leishmania major cathepsin L-like protease 0.0026 0.0397 0.1071
Onchocerca volvulus 0.0026 0.0397 0.4962
Schistosoma mansoni rab6-interacting 0.0024 0.0327 0.0679
Onchocerca volvulus 0.0026 0.0397 0.4962
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0397 0.3201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.4619 0.9601
Trypanosoma brucei calpain-like protein, putative 0.002 0.0181 0.146
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0397 0.0826
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0137 0.4619 0.9601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4811 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0327 0.8223
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0397 0.3201
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0327 0.0679
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0397 0.3201
Schistosoma mansoni calpain (C02 family) 0.002 0.0181 0.0377
Trypanosoma brucei calpain-like protein, putative 0.002 0.0181 0.146
Echinococcus granulosus cathepsin b 0.0137 0.4619 0.9601
Echinococcus multilocularis calpain 5 0.002 0.0181 0.0377

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 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 (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 112.2018 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
Plasmodium falciparum 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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