Detailed information for compound 1330000

Basic information

Technical information
  • TDR Targets ID: 1330000
  • Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-( 4-methoxyphenyl)sulfonylpiperazin-1-yl]methan one
  • MW: 474.96 | Formula: C22H23ClN4O4S
  • H donors: 0 H acceptors: 4 LogP: 3.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1c(C)nn(c1Cl)c1ccccc1
  • InChi: 1S/C22H23ClN4O4S/c1-16-20(21(23)27(24-16)17-6-4-3-5-7-17)22(28)25-12-14-26(15-13-25)32(29,30)19-10-8-18(31-2)9-11-19/h3-11H,12-15H2,1-2H3
  • InChiKey: YMAIFZYAQRVVEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
  • (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methanone
  • MLS000888706
  • ASN 05261125
  • ZINC01372370
  • (5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
  • MLS000071929
  • SMR000004303
  • Oprea1_648978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense 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
Leishmania major myo-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 expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 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
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
Trichomonas vaginalis myo inositol monophosphatase, putative 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
Trichomonas vaginalis inositol monophosphatase, 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
Trypanosoma brucei gambiense 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 306 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0095 0.07 0.8899
Echinococcus multilocularis GPCR, family 2 0.0294 0.2916 0.8679
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0134 0.5
Brugia malayi MH2 domain containing protein 0.0734 0.7827 0.7827
Schistosoma mansoni hypothetical protein 0.0205 0.1919 0.2855
Brugia malayi TAR-binding protein 0.0334 0.3359 0.3359
Brugia malayi hypothetical protein 0.0102 0.077 0.077
Trypanosoma brucei PAB1-binding protein , putative 0.0102 0.077 1
Leishmania major hypothetical protein, conserved 0.0102 0.077 1
Loa Loa (eye worm) inositol-1 0.0045 0.0134 0.0134
Schistosoma mansoni smad1 5 8 and 0.005 0.0195 0.029
Schistosoma mansoni smad 0.005 0.0195 0.029
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0145 0.0431
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0082 0.5
Echinococcus granulosus Smad4 0.005 0.0195 0.058
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0134 0.04
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.077 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0294 0.2916 0.2916
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0195 0.029
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0294 0.2916 0.2916
Loa Loa (eye worm) hypothetical protein 0.0929 1 1
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3359 0.4998
Loa Loa (eye worm) transcription factor SMAD2 0.0734 0.7827 0.7827
Schistosoma mansoni hypothetical protein 0.0205 0.1919 0.2855
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.07 0.8899
Schistosoma mansoni hypothetical protein 0.0294 0.2916 0.4338
Brugia malayi Isocitrate dehydrogenase 0.0095 0.07 0.07
Schistosoma mansoni hypothetical protein 0.0046 0.0145 0.0216
Brugia malayi isocitrate dehydrogenase 0.0095 0.07 0.07
Echinococcus multilocularis smad 0.005 0.0195 0.058
Loa Loa (eye worm) hypothetical protein 0.0167 0.1498 0.1498
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0095 0.07 0.2082
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0635 0.6721 0.6721
Schistosoma mansoni hypothetical protein 0.0294 0.2916 0.4338
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0195 0.058
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3359 0.4998
Echinococcus granulosus smad 0.005 0.0195 0.058
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0294 0.2916 0.8679
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0134 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0095 0.07 0.2082
Echinococcus granulosus tar DNA binding protein 0.0334 0.3359 1
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0195 0.0195
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0134 0.5
Schistosoma mansoni hypothetical protein 0.0294 0.2916 0.4338
Brugia malayi latrophilin 2 splice variant baaae 0.0635 0.6721 0.6721
Echinococcus granulosus geminin 0.0205 0.1919 0.5712
Brugia malayi hypothetical protein 0.0066 0.0368 0.0368
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0095 0.07 1
Schistosoma mansoni Smad4 0.005 0.0195 0.029
Schistosoma mansoni smad1 5 8 and 0.005 0.0195 0.029
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3359 0.4998
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0095 0.07 0.2082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0294 0.2916 0.8679
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.07 0.2082
Brugia malayi MH1 domain containing protein 0.005 0.0195 0.0195
Echinococcus multilocularis tar DNA binding protein 0.0334 0.3359 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0195 0.058
Brugia malayi Inositol-1 0.0045 0.0134 0.0134
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0134 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0334 0.3359 0.3359
Brugia malayi MH1 domain containing protein 0.005 0.0195 0.0195
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0195 0.058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0294 0.2916 0.8679
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0134 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0102 0.077 1
Loa Loa (eye worm) TAR-binding protein 0.0334 0.3359 0.3359
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.077 1
Brugia malayi MH2 domain containing protein 0.005 0.0195 0.0195
Onchocerca volvulus 0.0167 0.1498 1
Schistosoma mansoni hypothetical protein 0.0635 0.6721 1
Brugia malayi Smad1 0.005 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0102 0.077 0.077
Schistosoma mansoni inositol monophosphatase 0.0045 0.0134 0.02
Loa Loa (eye worm) hypothetical protein 0.0294 0.2916 0.2916
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0929 1 1
Schistosoma mansoni hypothetical protein 0.0294 0.2916 0.4338
Brugia malayi RNA binding protein 0.0334 0.3359 0.3359
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3359 0.4998
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.077 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.07 0.8899
Loa Loa (eye worm) isocitrate dehydrogenase 0.0095 0.07 0.07
Schistosoma mansoni inositol monophosphatase 0.0045 0.0134 0.02
Toxoplasma gondii LsmAD domain-containing protein 0.0102 0.077 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0294 0.2916 0.8679
Brugia malayi Latrophilin receptor protein 2 0.0294 0.2916 0.2916
Echinococcus granulosus GPCR family 2 0.0294 0.2916 0.8679
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3359 0.4998
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.07 0.8899
Brugia malayi hypothetical protein 0.0167 0.1498 0.1498
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.077 1
Schistosoma mansoni smad1 5 8 and 0.005 0.0195 0.029
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.07 0.8899
Brugia malayi RNA recognition motif domain containing protein 0.0334 0.3359 0.3359
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.07 0.2082
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0195 0.058
Loa Loa (eye worm) Smad1 0.005 0.0195 0.0195
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.07 0.8899
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0134 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0929 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0095 0.07 0.8899
Loa Loa (eye worm) MH2 domain-containing protein 0.0734 0.7827 0.7827
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0095 0.07 0.1041
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0134 0.04
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.07 0.2082
Echinococcus multilocularis geminin 0.0205 0.1919 0.5712
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0145 0.0431
Echinococcus multilocularis Smad4 0.005 0.0195 0.058
Brugia malayi MH2 domain containing protein 0.005 0.0195 0.0195
Loa Loa (eye worm) RNA binding protein 0.0334 0.3359 0.3359

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 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) 14.1254 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) 18.3564 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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