Detailed information for compound 1414447

Basic information

Technical information
  • TDR Targets ID: 1414447
  • Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propa n-2-ylquinazolin-4-yl)sulfanylethanone
  • MW: 377.503 | Formula: C22H23N3OS
  • H donors: 0 H acceptors: 3 LogP: 5.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nc(SCC(=O)N2C(C)Cc3c2cccc3)c2c(n1)cccc2)C
  • InChi: 1S/C22H23N3OS/c1-14(2)21-23-18-10-6-5-9-17(18)22(24-21)27-13-20(26)25-15(3)12-16-8-4-7-11-19(16)25/h4-11,14-15H,12-13H2,1-3H3
  • InChiKey: PHSBPVWYMAHSKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-isopropylquinazolin-4-yl)sulfanyl-1-(2-methylindolin-1-yl)ethanone
  • 2-[(2-isopropyl-4-quinazolinyl)thio]-1-(2-methyl-1-indolinyl)ethanone
  • 2-[(2-isopropylquinazolin-4-yl)thio]-1-(2-methylindolin-1-yl)ethanone
  • 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanone
  • 2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
  • MLS000556792
  • SMR000173435
  • ASN 06533101

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C 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 muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein 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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania major 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 inositol monophosphatase 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 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
Echinococcus multilocularis musashi 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 intermediate filament protein 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
Mycobacterium ulcerans extragenic suppressor protein SuhB 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 mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Brugia malayi 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin dm0 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus inositol monophosphatase 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
Schistosoma japonicum Lamin-C, putative 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 muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni microtubule-associated protein tau 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed 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
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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lamin dm0 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 multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase 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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, 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
Loa Loa (eye worm) 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Inositol-1 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 300 aa 22.0 %
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 %
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 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 MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 %
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 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
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 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
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
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.3285 0.8606 1
Mycobacterium leprae conserved hypothetical protein 0.053 0.1353 0.1509
Onchocerca volvulus 0.0033 0.0044 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0044 0.0044
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0191 0.0461 0.0461
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0191 0.0461 0.0388
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0076 0.0076
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.3814 1 1
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0191 0.0461 0.0461
Echinococcus granulosus intermediate filament protein 0.0033 0.0044 0.0044
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0065 0.0129 0.0062
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta 0.0191 0.0461 0.0452
Echinococcus granulosus lamin dm0 0.0033 0.0044 0.0044
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.3814 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2152 0.2152
Echinococcus multilocularis muscleblind protein 0.018 0.0434 0.0434
Echinococcus multilocularis lamin dm0 0.0033 0.0044 0.0044
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0337
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.1008 0.2611 0.2555
Loa Loa (eye worm) inositol-1 0.0045 0.0076 0.0076
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0191 0.0461 0.0388
Onchocerca volvulus 0.0033 0.0044 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0338 0.0338
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0044 0.004
Chlamydia trachomatis transcriptional repressor NrdR 0.053 0.1353 0.0935
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2152 0.2152
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0388
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2152 0.2118
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0065 0.0129 0.0053
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.3814 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0388
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.3814 1 1
Brugia malayi Inositol-1 0.0045 0.0076 0.0072
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0076 0.0076
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (BETA CHAIN) NRDF (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R2F PROTEIN) 0.0065 0.0129 0.0076
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0388
Echinococcus multilocularis lamin 0.0033 0.0044 0.0044
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.3285 0.8606 1
Brugia malayi Muscleblind-like protein 0.018 0.0434 0.0429
Echinococcus granulosus muscleblind protein 0.018 0.0434 0.0434
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.3285 0.8606 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.053 0.1353 0.1509
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.3814 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0044 0.0044
Brugia malayi MH2 domain containing protein 0.0144 0.0338 0.0334
Loa Loa (eye worm) hypothetical protein 0.018 0.0434 0.0434
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0337
Loa Loa (eye worm) hypothetical protein 0.0032 0.0043 0.0043
Echinococcus multilocularis muscleblind protein 1 0.018 0.0434 0.0434
Echinococcus granulosus lamin 0.0033 0.0044 0.0044
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2537 0.2537
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0388
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0005 0.0005
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.1181 0.3068 0.3517
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.3814 1 1
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0191 0.0461 0.0388
Schistosoma mansoni inositol monophosphatase 0.0045 0.0076 0.0032
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0191 0.0461 0.0388
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0191 0.0461 0.0465
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.3814 1 1
Brugia malayi ribonucleotide reductase 2 0.0191 0.0461 0.0457
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.3814 1 1
Mycobacterium ulcerans transcriptional regulator NrdR 0.053 0.1353 0.1497
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0191 0.0461 0.0388
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0191 0.0461 0.0465
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0044 0.0044
Echinococcus multilocularis musashi 0.0033 0.0044 0.0044
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0076 0.5
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0191 0.0461 0.0461
Brugia malayi intermediate filament protein 0.0033 0.0044 0.004
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0338 0.0338
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.3814 1 1
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.3814 1 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0076 0.0032
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.3814 1 1
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.3285 0.8606 1
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0191 0.0461 0.0419
Loa Loa (eye worm) hypothetical protein 0.018 0.0434 0.0434
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.3285 0.8606 1
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.3814 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 16.3601 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 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 Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 31.6228 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) 35.4813 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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

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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