Detailed information for compound 1225798

Basic information

Technical information
  • TDR Targets ID: 1225798
  • Name: (4Z)-2-ethyl-4-(thiophen-2-ylmethylidene)-1,3 -dihydropyrido[4,3-b]quinolin-2-ium-10-carbox ylate
  • MW: 350.434 | Formula: C20H18N2O2S
  • H donors: 1 H acceptors: 3 LogP: 0.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C/C(=C/c2cccs2)/c2c(C1)c(C(=O)O)c1c(n2)cccc1
  • InChi: 1S/C20H18N2O2S/c1-2-22-11-13(10-14-6-5-9-25-14)19-16(12-22)18(20(23)24)15-7-3-4-8-17(15)21-19/h3-10H,2,11-12H2,1H3,(H,23,24)/b13-10-
  • InChiKey: UZLYDACUZMAVMX-RAXLEYEMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4Z)-2-ethyl-4-(2-thienylmethylene)-1,3-dihydropyrido[4,3-b]quinolin-2-ium-10-carboxylate
  • ZINC05131348
  • (4Z)-2-ethyl-4-(thiophen-2-ylmethylidene)-1,3-dihydropyrido[4,3-b]quinoline-10-carboxylic acid
  • (4Z)-2-ethyl-4-(2-thienylmethylene)-1,3-dihydropyrido[4,3-b]quinoline-10-carboxylic acid
  • MLS001003079
  • SMR000372730
  • T0515-8195

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense calpain-like cysteine peptidase, putative,antigen, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Trypanosoma brucei variant surface glycoprotein (VSG), putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei hypothetical protein Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum calpain-like cysteine peptidase Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma congolense calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania donovani calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma congolense cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Leishmania donovani hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3965 0.3843
Onchocerca volvulus Pyruvate kinase homolog 0.0625 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0304 0.0304
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0135 0.1484 0.0705
Echinococcus multilocularis pyruvate kinase 0.0625 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.1324 0.1148
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.0838 0.0652
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1484 0.0705
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.5273 0.484
Loa Loa (eye worm) hypothetical protein 0.0625 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0436 0.6712 1
Trypanosoma brucei calpain, putative 0.0135 0.1484 0.0705
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Echinococcus multilocularis pyruvate kinase 0.0321 0.4711 0.4604
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0189 0.2422 0.2268
Trichomonas vaginalis glutaminase, putative 0.0292 0.421 0.368
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.0838 0.072
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.0838 0.0652
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Leishmania major pyruvate kinase 0.0625 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Echinococcus granulosus pyruvate kinase 0.0321 0.4711 0.4604
Brugia malayi pyruvate kinase, muscle isozyme 0.0132 0.1423 0.1249
Echinococcus multilocularis pyruvate kinase 0.0321 0.4711 0.4604
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0304 0.0107
Brugia malayi pyruvate kinase 0.0132 0.1423 0.1249
Echinococcus granulosus pyruvate kinase 0.0625 1 1
Loa Loa (eye worm) pyruvate kinase 0.0625 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2133 0.1973
Schistosoma mansoni glutaminase 0.0292 0.421 0.421
Chlamydia trachomatis pyruvate kinase 0.0625 1 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.1324 0.1148
Loa Loa (eye worm) glutaminase 0.0292 0.421 0.4135
Giardia lamblia Pyruvate kinase 0.0625 1 1
Mycobacterium ulcerans pyruvate kinase 0.0625 1 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0436 0.6712 0.667
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0135 0.1484 0.0705
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Echinococcus granulosus pyruvate kinase 0.0625 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5273 0.7549
Leishmania major pyruvate kinase 0.0625 1 1
Loa Loa (eye worm) tumor suppressor 0.0388 0.5888 0.5835
Loa Loa (eye worm) hypothetical protein 0.0135 0.1476 0.1367
Giardia lamblia Pyruvate kinase 0.0321 0.4711 0.4227
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0199 0.0199
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Trypanosoma cruzi pyruvate kinase 2, putative 0.0625 1 1
Loa Loa (eye worm) pyruvate kinase 0.0625 1 1
Trypanosoma brucei hypothetical protein 0.0135 0.1484 0.0705
Echinococcus multilocularis pyruvate kinase 0.0493 0.7711 0.7664
Schistosoma mansoni lipoxygenase 0.0126 0.1324 0.1324
Trypanosoma brucei calpain-like protein, putative 0.0135 0.1484 0.0705
Echinococcus multilocularis pyruvate kinase 0.0625 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0304 0.0107
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1484 0.0705
Brugia malayi glutaminase DH11.1 0.0292 0.421 0.4092
Trypanosoma brucei pyruvate kinase 1, putative 0.0625 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5273 0.7549
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Schistosoma mansoni lipoxygenase 0.0088 0.0665 0.0665
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2133 0.1973
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0304 0.0107
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.0838 0.0652
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0304 0.0107
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0625 1 1
Loa Loa (eye worm) pyruvate kinase 0.0625 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0625 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0304 0.0304
Echinococcus granulosus pyruvate kinase 0.0321 0.4711 0.4604
Schistosoma mansoni pyruvate kinase 0.0321 0.4711 0.4711
Loa Loa (eye worm) glutaminase 2 0.0292 0.421 0.4135
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.0838 0.0838
Onchocerca volvulus Pyruvate kinase homolog 0.0625 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0625 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0304 0.0107
Brugia malayi hypothetical protein 0.0135 0.1476 0.1303
Mycobacterium ulcerans glutaminase 0.0292 0.421 0.4092
Plasmodium vivax pyruvate kinase, putative 0.0625 1 1
Toxoplasma gondii pyruvate kinase PyKII 0.0321 0.4711 0.4545
Loa Loa (eye worm) hypothetical protein 0.0436 0.6712 0.667
Loa Loa (eye worm) pyruvate kinase 0.0132 0.1423 0.1313
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0304 0.0107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0304 0.0107
Onchocerca volvulus Huntingtin homolog 0.0135 0.1476 0.0697
Schistosoma mansoni pyruvate kinase 0.0625 1 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Schistosoma mansoni pyruvate kinase 0.0625 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Echinococcus multilocularis pyruvate kinase 0.0321 0.4711 0.4604
Mycobacterium leprae Probable pyruvate kinase PykA 0.0625 1 1
Trypanosoma brucei pyruvate kinase 1 0.0625 1 1
Onchocerca volvulus Huntingtin homolog 0.0135 0.1476 0.0697
Trichomonas vaginalis pyruvate kinase, putative 0.0625 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1484 0.1311
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.0838 0.0652
Loa Loa (eye worm) hypothetical protein 0.0135 0.1476 0.1367
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.5273 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0625 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1484 0.1311
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5273 0.484
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Plasmodium falciparum pyruvate kinase 0.0625 1 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1484 0.0705
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1484 0.1311
Brugia malayi tumor suppressor. 0.0388 0.5888 0.5805
Echinococcus granulosus pyruvate kinase 0.0321 0.4711 0.4604
Brugia malayi Pyruvate kinase, M2 isozyme 0.0625 1 1
Toxoplasma gondii pyruvate kinase PyK1 0.0625 1 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 3.02 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (binding) = 31.884 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 39.169 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
IC50 (binding) = 9.411 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) = 16.969 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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 of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.1198 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 223.8721 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1477, AID1484] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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