Detailed information for compound 1886204

Basic information

Technical information
  • TDR Targets ID: 1886204
  • Name: 2-[(4-chlorophenyl)-phenylsulfonylamino]-N-(f uran-2-ylmethylideneamino)acetamide
  • MW: 417.866 | Formula: C19H16ClN3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)Cl)N/N=C/c1ccco1
  • InChi: 1S/C19H16ClN3O4S/c20-15-8-10-16(11-9-15)23(28(25,26)18-6-2-1-3-7-18)14-19(24)22-21-13-17-5-4-12-27-17/h1-13H,14H2,(H,22,24)/b21-13+
  • InChiKey: OKSFNEJDMIOHFG-FYJGNVAPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-chlorophenyl)-phenylsulfonyl-amino]-N-(2-furylmethyleneamino)acetamide
  • 2-[(4-chlorophenyl)-phenylsulfonylamino]-N-(2-furylmethyleneamino)acetamide
  • 2-[(4-chlorophenyl)-phenylsulfonyl-amino]-N-(furan-2-ylmethylideneamino)ethanamide
  • MLS000541058
  • N-(4-chlorophenyl)-N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}benzenesulfonamide
  • SMR000161907
  • AG-205/32364048

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis inositol monophosphatase 1 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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense 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
Entamoeba histolytica myo-inositol monophosphatase, 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
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis inositol monophosphatase, putative 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
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni inositol monophosphatase 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 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 307 aa 22.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
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 myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0045 0.6955 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0631 0.0616
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Echinococcus granulosus dna polymerase eta 0.0023 0.2798 0.3426
Leishmania major DNA polymerase eta, putative 0.0023 0.2798 0.4008
Onchocerca volvulus 0.0052 0.8463 0.9555
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4117 0.5856
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.6955 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0631 0.0616
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0631 0.0886
Echinococcus multilocularis GPCR, family 2 0.0019 0.1967 0.2112
Schistosoma mansoni hypothetical protein 0.0019 0.1967 0.2811
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4481 0.5691
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1967 0.1954
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.6955 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4481 0.6337
Mycobacterium ulcerans thioesterase 0.0025 0.3139 0.443
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.2798 0.4008
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2798 0.2313
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7019 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4117 0.581
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0631 0.0886
Schistosoma mansoni hypothetical protein 0.0019 0.1967 0.2811
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7019 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0631 0.0886
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3731 0.3721
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4481 0.6357
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1967 0.2112
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3139 0.4398
Loa Loa (eye worm) hypothetical protein 0.0017 0.1536 0.0966
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.6955 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.297 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.3937 0.5599
Loa Loa (eye worm) hypothetical protein 0.0019 0.1967 0.1426
Schistosoma mansoni coup transcription factor 0.0012 0.0631 0.0886
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3731 0.5305
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0092 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.6282 0.6276
Leishmania major DNA polymerase kappa, putative 0.0023 0.2798 0.4008
Brugia malayi nuclear hormone receptor 0.0012 0.0631 0.0616
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1967 0.2112
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2798 0.2786
Loa Loa (eye worm) inositol-1 0.0045 0.6955 0.675
Loa Loa (eye worm) hypothetical protein 0.0023 0.2798 0.2313
Echinococcus multilocularis dna polymerase eta 0.0023 0.2798 0.3426
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2464 0.3495
Echinococcus granulosus dna polymerase kappa 0.0023 0.2798 0.3426
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.6955 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4481 0.6376
Giardia lamblia DINP protein human, muc B family 0.0023 0.2798 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4481 0.6337
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.6955 0.5
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3139 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0631 0.0616
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0947 0.0337
Brugia malayi Inositol-1 0.0045 0.6955 0.695
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4117 0.581
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4117 0.5856
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.6043 0.8606
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0631 0.0886
Schistosoma mansoni DNA polymerase eta 0.0023 0.2798 0.4008
Onchocerca volvulus 0.0028 0.3731 0.3783
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2798 0.3972
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4117 0.5834
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1967 0.1954
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2129 0.2981
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0631 0.0616
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2129 0.2941
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2798 0.2535
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2798 0.2535
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1967 0.2112
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.6955 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1967 0.1426
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0053 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0631 0.0616
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0631 0.0886
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2798 0.2786
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.6955 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.6282 0.6031
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.2798 0.4008
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.3937 0.5599
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.6955 0.9908
Plasmodium vivax hypothetical protein, conserved 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0631 0.0616
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.8827 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0631 0.0616
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.6043 0.8591
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4117 0.5834
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4481 0.6357
Mycobacterium ulcerans polyketide synthase 0.0032 0.4481 0.6357
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0266 0.0356
Schistosoma mansoni inositol monophosphatase 0.0045 0.6955 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.9371 0.937
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3139 0.443
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0631 0.0886
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2798 0.2535
Brugia malayi nuclear receptor NHR-88 0.0012 0.0631 0.0616
Loa Loa (eye worm) fatty acid synthase 0.003 0.4039 0.3637
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.297 0.4155
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1585 0.224
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.6955 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2055 0.1465
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0631 0.0886
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2798 0.4008
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0053 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0631 0.0616
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2426 0.211
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0009 0 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2798 0.3972
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.297 0.4188
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2798 0.3426
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2798 0.4008
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4481 0.6376
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4481 0.6376
Brugia malayi steroid hormone receptor 0.0012 0.0631 0.0616
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2798 0.3426
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.6955 1
Echinococcus granulosus GPCR family 2 0.0019 0.1967 0.2112
Schistosoma mansoni hypothetical protein 0.0041 0.6282 0.9029
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4117 0.5834
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2798 0.3426
Loa Loa (eye worm) hypothetical protein 0.0051 0.8107 0.7979
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4117 0.4107
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2798 0.4008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0631 0.0616
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0631 0.0886
Trypanosoma brucei unspecified product 0.0023 0.2798 0.2535
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4117 0.5856
Schistosoma mansoni hypothetical protein 0.0019 0.1967 0.2811
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2798 0.394
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2798 0.394
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4481 0.6337
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0631 0.0886
Mycobacterium ulcerans polyketide synthase 0.003 0.4117 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3048 0.4329
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.6955 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0092 0.0108
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0631 0.0886
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7019 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7019 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0631 0.0886
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1967 0.2112
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2798 0.2535
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0631 0.0886
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.6955 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2798 0.2535
Schistosoma mansoni hypothetical protein 0.0019 0.1967 0.2811
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0631 0.0616
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0622 0.0864
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3731 0.3309
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4117 0.5834
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.6955 1
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2129 0.2981

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 6.94 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 10.8 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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