Detailed information for compound 1431163

Basic information

Technical information
  • TDR Targets ID: 1431163
  • Name: 1-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)- 4-ethylpiperazine
  • MW: 312.385 | Formula: C14H20N2O4S
  • H donors: 0 H acceptors: 2 LogP: 0.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C14H20N2O4S/c1-2-15-5-7-16(8-6-15)21(17,18)12-3-4-13-14(11-12)20-10-9-19-13/h3-4,11H,2,5-10H2,1H3
  • InChiKey: VYUVLNRZUHSJJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)-4-ethyl-piperazine
  • 1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-4-ethyl-piperazine
  • BAS 01113699
  • MLS000068571
  • Oprea1_847741
  • SMR000122932
  • Oprea1_228626

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, 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
Echinococcus multilocularis inositol monophosphatase 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, 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
Mycobacterium ulcerans extragenic suppressor protein SuhB 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
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 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
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Trichomonas vaginalis myo inositol monophosphatase, putative 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
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, 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
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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 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 300 aa 22.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
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 306 aa 22.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.1474 0.3722
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0476 0.2598 0.6561
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0338 0.1554 0.1536
Trichomonas vaginalis PIKK family atypical protein kinase 0.044 0.2321 0.5862
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.056 0.3225 0.8134
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0253 0.0918 0.0899
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0823 0.5207 0.5197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0187 0.0419 0.0399
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0253 0.0918 0.0899
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.0626 0.0606
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0347 0.1626 0.1608
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0134 0.0021 0.0053
Entamoeba histolytica hypothetical protein 0.0253 0.0918 0.2801
Loa Loa (eye worm) hypothetical protein 0.0281 0.1126 0.2411
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.056 0.3225 0.8134
Loa Loa (eye worm) hypothetical protein 0.0148 0.0129 0.0234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.2557 0.6457
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0658 0.3959 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0253 0.0918 0.0899
Entamoeba histolytica hypothetical protein 0.0396 0.1993 0.6154
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0476 0.2598 0.8043
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0253 0.0918 0.0899
Trichomonas vaginalis PIKK family atypical protein kinase 0.0477 0.2599 0.6565
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0214 0.0626 0.1889
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1461 1 1
Brugia malayi hypothetical protein 0.0148 0.0129 0.0108
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 0.1383
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0253 0.0918 0.2278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.0918 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0364 0.1751 0.4422
Trichomonas vaginalis PIKK family atypical protein kinase 0.044 0.2321 0.5862
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.3959 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.056 0.3225 0.321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2946 0.7442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.2669 0.6742
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0523 0.2948 0.7431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2946 0.7442
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0281 0.1126 0.3868
Giardia lamblia GTOR 0.056 0.3225 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0129 0.0234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0477 0.2599 0.6565
Trichomonas vaginalis PIKK family atypical protein kinase 0.056 0.3225 0.8144
Onchocerca volvulus Huntingtin homolog 0.0148 0.0129 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.056 0.3225 0.6993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.1474 0.3722
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2946 0.7442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2946 0.7442
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0257 0.0949 0.2896
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.056 0.3225 0.321
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0396 0.1993 0.6154
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0253 0.0918 0.0899
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0272 0.1065 0.2544
Leishmania major phosphatidylinositol 3-kinase, putative 0.044 0.2321 0.584
Loa Loa (eye worm) phosphatidylinositol 3 0.0743 0.4602 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0658 0.3959 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0658 0.3959 0.8597
Brugia malayi FAT domain containing protein 0.0187 0.0419 0.0399
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0214 0.0626 0.0606
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0253 0.0918 0.0899
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0214 0.0626 0.0606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Trichomonas vaginalis conserved hypothetical protein 0.0159 0.0212 0.0535
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 0.1383
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.056 0.3225 0.8134
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0253 0.0918 0.0899
Trypanosoma cruzi target of rapamycin kinase 3 0.0523 0.2948 0.2933
Echinococcus multilocularis serine protein kinase ATM 0.0253 0.0918 0.0899
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.056 0.3225 0.321
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.0419 0.1058
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0318 0.1404 0.3511
Toxoplasma gondii FATC domain-containing protein 0.0253 0.0918 0.3143
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.1544 0.3899
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.056 0.3225 0.321
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0214 0.0626 0.1536
Trichomonas vaginalis PIKK family atypical protein kinase 0.056 0.3225 0.8144
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0134 0.0021 0.0053
Entamoeba histolytica protein kinase rad3, putative 0.0253 0.0918 0.2801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.1474 0.3722
Loa Loa (eye worm) hypothetical protein 0.0338 0.1554 0.3346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.2598 0.6562
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0353 0.167 0.4218
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.056 0.3225 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1461 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0471 0.2557 0.7915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0477 0.2599 0.6565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.0918 0.232
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0476 0.2598 0.6561
Loa Loa (eye worm) hypothetical protein 0.0187 0.0419 0.0868
Trichomonas vaginalis PIKK family atypical protein kinase 0.044 0.2321 0.5862
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1461 1 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0187 0.0419 0.0399
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0214 0.0626 0.1582
Loa Loa (eye worm) hypothetical protein 0.0159 0.0212 0.0416
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.056 0.3225 0.321
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0168 0.0278 0.0653
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0338 0.1554 0.1536
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2946 0.7442
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0476 0.2598 0.2582
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0476 0.2598 0.2582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0477 0.2599 0.6565
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0823 0.5207 0.5197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0373 0.1822 0.4602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.2598 0.6562
Schistosoma mansoni hypothetical protein 0.0187 0.0419 0.0399
Onchocerca volvulus Huntingtin homolog 0.0148 0.0129 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1461 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Trichomonas vaginalis PIKK family atypical protein kinase 0.044 0.2321 0.5862
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0214 0.0626 0.1582
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0476 0.2598 0.2582
Echinococcus granulosus serine protein kinase ATM 0.0253 0.0918 0.0899
Schistosoma mansoni fkbp-rapamycin associated protein 0.0253 0.0918 0.0899
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.044 0.2321 0.584
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0523 0.2948 0.7431
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0134 0.0021 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0212 0.0535
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1461 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0513 0.2876 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.056 0.3225 0.321
Loa Loa (eye worm) hypothetical protein 0.0253 0.0918 0.1959
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0382 0.1891 0.5837
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0353 0.167 0.4218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.2876 0.7264
Trichomonas vaginalis conserved hypothetical protein 0.0281 0.1126 0.2843
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0159 0.0212 0.0191
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.056 0.3225 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0338 0.1554 0.1536
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0476 0.2598 0.6561
Trichomonas vaginalis PIKK family atypical protein kinase 0.056 0.3225 0.8144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.2598 0.6562
Loa Loa (eye worm) hypothetical protein 0.0139 0.006 0.0085
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0823 0.5207 0.5197
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0134 0.0021 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0214 0.0626 0.1582
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0214 0.0626 0.1889
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.056 0.3225 0.8134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.2669 0.6742
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0134 0.0021 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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