Detailed information for compound 1445559

Basic information

Technical information
  • TDR Targets ID: 1445559
  • Name: 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methy lpyrazol-3-amine
  • MW: 318.201 | Formula: C16H13Cl2N3
  • H donors: 1 H acceptors: 1 LogP: 5.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Nc1cc(nn1c1cccc(c1)Cl)C
  • InChi: 1S/C16H13Cl2N3/c1-11-9-16(19-14-7-5-12(17)6-8-14)21(20-11)15-4-2-3-13(18)10-15/h2-10,19H,1H3
  • InChiKey: VCSUQZLXYTZUSA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-pyrazol-3-amine
  • 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-3-pyrazolamine
  • (4-chlorophenyl)-[2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]amine
  • T0515-1881
  • SMR000155520
  • ZINC03293235
  • MLS000536181

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau 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
Trypanosoma congolense 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis inositol monophosphatase 1 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis musashi 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, 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
Schistosoma mansoni lamin 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed 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
Trypanosoma brucei 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
Brugia malayi 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Schistosoma japonicum ko:K07611 lamin, putative 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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin 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
Echinococcus granulosus lamin dm0 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
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
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 306 aa 22.5 %
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 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 300 aa 22.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
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) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
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 287 aa 22.3 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1691 0.6624
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.008 0.5
Schistosoma mansoni lamin 0.0033 0.0042 0.0166
Brugia malayi acyl-CoA desaturase 0.2836 0.8832 1
Mycobacterium tuberculosis Probable conserved membrane protein 0.0373 0.1109 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.008 0.5
Leishmania major delta-4 fatty acid desaturase 0.0373 0.1109 0.1037
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.008 0.0314
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0042 0.0048
Loa Loa (eye worm) fatty acid desaturase 0.0373 0.1109 0.1255
Schistosoma mansoni fatty acid desaturase 0.0373 0.1109 0.4342
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0129 0.0146
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0373 0.1109 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0373 0.1109 0.1037
Mycobacterium ulcerans electron transfer protein FdxB 0.0373 0.1109 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.008 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0042 0.0048
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1691 0.6624
Leishmania major delta-12 fatty acid desaturase 0.0373 0.1109 0.1037
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0048
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0042 0.0048
Trypanosoma brucei delta-4 fatty acid desaturase 0.0373 0.1109 0.1037
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.2836 0.8832 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1691 0.6624
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0373 0.1109 1
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0373 0.1109 0.1037
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1691 0.6624
Loa Loa (eye worm) acyl-CoA desaturase 0.2836 0.8832 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.008 0.0314
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Trypanosoma cruzi fatty acid desaturase, putative 0.2836 0.8832 0.8822
Trypanosoma cruzi fatty acid desaturase, putative 0.3209 1 1
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0373 0.1109 0.1037
Onchocerca volvulus 0.3209 1 1
Trypanosoma brucei fatty acid desaturase, putative 0.3209 1 1
Echinococcus multilocularis lamin 0.0033 0.0042 0.0166
Onchocerca volvulus 0.0373 0.1109 0.1071
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0373 0.1109 0.4342
Brugia malayi Fatty acid desaturase family protein 0.0373 0.1109 0.1255
Brugia malayi Inositol-1 0.0045 0.008 0.0091
Loa Loa (eye worm) hypothetical protein 0.006 0.0129 0.0146
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Mycobacterium ulcerans hypothetical protein 0.0373 0.1109 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0041 0.0046
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0373 0.1109 1
Leishmania major delta-5 fatty acid desaturase 0.0373 0.1109 0.1037
Leishmania major fatty-acid desaturase, putative 0.3209 1 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0373 0.1109 0.1037
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0373 0.1109 1
Schistosoma mansoni lamin 0.0033 0.0042 0.0166
Echinococcus multilocularis lamin dm0 0.0033 0.0042 0.0166
Echinococcus granulosus intermediate filament protein 0.0033 0.0042 0.0166
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.008 0.0314
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0373 0.1109 1
Leishmania major fatty acid desaturase, putative 0.0373 0.1109 0.1037
Schistosoma mansoni inositol monophosphatase 0.0045 0.008 0.0314
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0373 0.1109 1
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0271
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Leishmania major fatty acid desaturase, putative 0.0373 0.1109 0.1037
Loa Loa (eye worm) inositol-1 0.0045 0.008 0.0091
Echinococcus multilocularis musashi 0.0033 0.0042 0.0166
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2553 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0042 0.0166
Echinococcus granulosus lamin dm0 0.0033 0.0042 0.0166
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2553 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.1109 0.1255
Brugia malayi intermediate filament protein 0.0033 0.0042 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0129 0.0146
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.008 0.5
Mycobacterium ulcerans hypothetical protein 0.0373 0.1109 1
Echinococcus multilocularis geminin 0.0205 0.0582 0.2279
Trypanosoma cruzi fatty acid desaturase, putative 0.0373 0.1109 0.1037
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Echinococcus granulosus lamin 0.0033 0.0042 0.0166
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0373 0.1109 0.1037
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2553 1
Schistosoma mansoni hypothetical protein 0.0205 0.0582 0.2279
Plasmodium falciparum stearoyl-CoA desaturase 0.2836 0.8832 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0078
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0373 0.1109 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0069 0.0078
Schistosoma mansoni hypothetical protein 0.0205 0.0582 0.2279
Brugia malayi Delta5 fatty acid desaturase 0.0373 0.1109 0.1255
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0373 0.1109 0.4342
Loa Loa (eye worm) fatty acid desaturase 0.0373 0.1109 0.1255
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0373 0.1109 0.4342
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.008 0.5
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0373 0.1109 0.1037
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0373 0.1109 0.1037
Loa Loa (eye worm) FAT-3 protein 0.0373 0.1109 0.1255
Onchocerca volvulus 0.3209 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0129 0.0146
Leishmania major delta-6 fatty acid desaturase 0.0373 0.1109 0.1037
Echinococcus granulosus Fatty acid desaturase type 1 0.0373 0.1109 0.4342
Trypanosoma cruzi fatty acid desaturase, putative 0.2836 0.8832 0.8822
Brugia malayi Fatty acid desaturase family protein 0.0373 0.1109 0.1255
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0373 0.1109 0.4342
Echinococcus granulosus geminin 0.0205 0.0582 0.2279

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 51 um PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of placental alkaline phosphatase. (Class of assay: confirmatory) [Related pubchem assays: 518 ] ChEMBL. No reference
IC50 (binding) 69.501 uM PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 999 um PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of placental alkaline phosphatase. (Class of assay: confirmatory) [Related pubchem assays: 1512, 518 ] ChEMBL. No reference
Potency (functional) = 7.9433 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) = 27.9687 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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