Detailed information for compound 1406181

Basic information

Technical information
  • TDR Targets ID: 1406181
  • Name: (5E)-5-[1-(3-hydroxypropylamino)ethylidene]-1 -(phenylmethyl)-1,3-diazinane-2,4,6-trione
  • MW: 317.34 | Formula: C16H19N3O4
  • H donors: 3 H acceptors: 4 LogP: 1.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCN/C(=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1)/C
  • InChi: 1S/C16H19N3O4/c1-11(17-8-5-9-20)13-14(21)18-16(23)19(15(13)22)10-12-6-3-2-4-7-12/h2-4,6-7,17,20H,5,8-10H2,1H3,(H,18,21,23)/b13-11+
  • InChiKey: JWPXKNDUNOWWQP-ACCUITESSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[1-(3-hydroxypropylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
  • 5-[1-(3-hydroxypropylamino)ethylidene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
  • (5E)-5-[1-(3-hydroxypropylamino)ethylidene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
  • 1-(benzyl)-5-[1-(3-hydroxypropylamino)ethylidene]barbituric acid
  • (5E)-1-(benzyl)-5-[1-(3-hydroxypropylamino)ethylidene]barbituric acid
  • STOCK4S-24476
  • MLS000041635
  • SMR000058165

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Giardia lamblia Cathepsin B precursor 0.0049 0.3039 0.5
Brugia malayi Cathepsin L-like precursor 0.0031 0.156 0.156
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Schistosoma mansoni cathepsin F (C01 family) 0.0044 0.2676 0.2676
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0044 0.2676 0.8189
Onchocerca volvulus 0.0044 0.2676 1
Echinococcus multilocularis cysteine protease 0.0044 0.2676 0.2676
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0013 0.0103 0.0103
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0044 0.2676 0.2676
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.2676 0.2676
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Loa Loa (eye worm) hypothetical protein 0.0013 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0031 0.156 0.1471
Brugia malayi Cathepsin L-like precursor 0.0013 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0031 0.156 0.156
Brugia malayi Papain family cysteine protease containing protein 0.0025 0.1039 0.1039
Brugia malayi Inositol-1 0.0045 0.269 0.269
Plasmodium vivax vivapain-3 0.0025 0.1039 0.3634
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.2302 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0025 0.1039 0.1039
Trypanosoma cruzi cysteine protease, putative 0.0025 0.1039 0.0945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Onchocerca volvulus 0.0044 0.2676 1
Onchocerca volvulus Cathepsin F homolog 0.0044 0.2676 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.156 0.156
Onchocerca volvulus 0.0031 0.156 0.5827
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0044 0.2676 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0044 0.2676 0.2676
Trypanosoma cruzi cysteine proteinase, putative 0.0025 0.1039 0.0945
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.2302 0.5
Brugia malayi cathepsin L-like precursor 0.0031 0.156 0.156
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Onchocerca volvulus 0.0044 0.2676 1
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.156 0.3155
Schistosoma mansoni inositol monophosphatase 0.0045 0.269 0.269
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0044 0.2676 0.8189
Schistosoma mansoni cathepsin F (C01 family) 0.0044 0.2676 0.2676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase C (CPC) 0.0049 0.3039 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0049 0.3039 0.2966
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.269 0.0377
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Echinococcus granulosus cathepsin L cysteine protease 0.0025 0.1039 0.1039
Onchocerca volvulus 0.0044 0.2676 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Schistosoma mansoni inositol monophosphatase 0.0045 0.269 0.269
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.269 0.8257
Echinococcus granulosus cathepsin L cysteine proteinase 0.0044 0.2676 0.2676
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Trypanosoma cruzi cysteine peptidase, putative 0.0044 0.2676 0.26
Loa Loa (eye worm) cysteine protease 0.0044 0.2676 0.2676
Brugia malayi cathepsin F-like cysteine proteinase 0.0013 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.156 0.2606
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0044 0.2676 0.8189
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.269 0.8257
Brugia malayi Cathepsin L-like cysteine proteinase 0.0031 0.156 0.156
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0025 0.1039 0.0945
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0025 0.1039 0.1039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.3039 0.3039
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0044 0.2676 0.2676
Loa Loa (eye worm) hypothetical protein 0.0013 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0013 0.0103 0.0103
Loa Loa (eye worm) cathepsin B 0.0049 0.3039 0.3039
Echinococcus granulosus cathepsin l1 0.0044 0.2676 0.2676
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0044 0.2676 0.26
Giardia lamblia Cathepsin B precursor 0.0049 0.3039 0.5
Echinococcus multilocularis cysteine protease 0.0044 0.2676 0.2676
Plasmodium falciparum cysteine proteinase falcipain 3 0.0044 0.2676 1
Toxoplasma gondii cathepsin B 0.0049 0.3039 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0044 0.2676 0.2676
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Onchocerca volvulus Cathepsin L homolog 0.0044 0.2676 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.269 0.2614
Echinococcus granulosus cathepsin l1 0.0031 0.156 0.156
Echinococcus multilocularis cathepsin L cysteine protease 0.0044 0.2676 0.2676
Onchocerca volvulus 0.0044 0.2676 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0025 0.1039 0.1039
Echinococcus granulosus cysteine protease 0.0025 0.1039 0.1039
Onchocerca volvulus Cathepsin L homolog 0.0044 0.2676 1
Plasmodium vivax vivapain-2 0.0044 0.2676 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.269 0.269
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma cruzi cysteine proteinase, putative 0.0025 0.1039 0.0945
Onchocerca volvulus 0.0044 0.2676 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Echinococcus granulosus cathepsin l cysteine peptidase 0.0044 0.2676 0.2676
Schistosoma mansoni cathepsin s 0.0013 0.0103 0.0103
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.3039 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.269 0.0377
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.269 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.269 1
Brugia malayi Papain family cysteine protease containing protein 0.0025 0.1039 0.1039
Loa Loa (eye worm) ctsf protein 0.0044 0.2676 0.2676
Echinococcus multilocularis cathepsin L 0.0025 0.1039 0.1039
Trypanosoma cruzi cruzipain precursor, putative 0.0044 0.2676 0.26
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.269 0.8257
Entamoeba histolytica cysteine proteinase, putative 0.0044 0.2676 0.9917
Loa Loa (eye worm) fibroinase 0.0044 0.2676 0.2676
Echinococcus granulosus cathepsin L 0.0025 0.1039 0.1039
Loa Loa (eye worm) inositol-1 0.0045 0.269 0.269
Onchocerca volvulus 0.0044 0.2676 1
Plasmodium vivax vivapain-2 0.0044 0.2676 1
Brugia malayi Cathepsin L-like precursor 0.0044 0.2676 0.2676
Loa Loa (eye worm) hypothetical protein 0.0044 0.2676 0.2676
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0013 0.0103 0.0103
Trypanosoma cruzi cysteine peptidase, putative 0.0025 0.1039 0.0945
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.269 0.269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.156 0.2606
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0044 0.2676 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.269 0.2614
Entamoeba histolytica cysteine proteinase, putative 0.0044 0.2676 0.9917
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.269 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.156 0.156
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0049 0.3039 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.269 0.8257
Trypanosoma cruzi cysteine peptidase, putative 0.0044 0.2676 0.26
Brugia malayi Cathepsin L-like precursor 0.0031 0.156 0.156
Giardia lamblia Cathepsin B precursor 0.0049 0.3039 0.5
Entamoeba histolytica cysteine protease, putative 0.0044 0.2676 0.9917
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0044 0.2676 0.2676
Plasmodium vivax vivapain-1 0.0025 0.1039 0.3634
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0044 0.2676 0.26
Plasmodium vivax unspecified product 0.0025 0.1039 0.3634
Loa Loa (eye worm) hypothetical protein 0.0031 0.156 0.156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.2676 0.8189

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 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

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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