Detailed information for compound 1886779

Basic information

Technical information
  • TDR Targets ID: 1886779
  • Name: 2-cyano-N-[[4-(methyl-phenylamino)phenyl]meth ylideneamino]acetamide
  • MW: 292.335 | Formula: C17H16N4O
  • H donors: 1 H acceptors: 2 LogP: 2.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccccc1)c1ccc(cc1)/C=N/NC(=O)CC#N
  • InChi: 1S/C17H16N4O/c1-21(15-5-3-2-4-6-15)16-9-7-14(8-10-16)13-19-20-17(22)11-12-18/h2-10,13H,11H2,1H3,(H,20,22)/b19-13+
  • InChiKey: XVDDBSXNXPQJEM-CPNJWEJPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-N-[[4-(methyl-phenyl-amino)phenyl]methyleneamino]acetamide
  • 2-cyano-N-[[4-(methyl-phenylamino)phenyl]methyleneamino]acetamide
  • 2-cyano-N-[[4-(methyl-phenyl-amino)benzylidene]amino]acetamide
  • 2-cyano-N-[[4-(methyl-phenyl-amino)phenyl]methylideneamino]ethanamide
  • MLS000702855
  • SMR000225656
  • AG-205/32982023
  • 2-cyano-N'-[4-(methylanilino)benzylidene]acetohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens Ras converting CAAX endopeptidase 1 Starlite/ChEMBL No references
Sus scrofa Trypsin Starlite/ChEMBL No references
Saccharomyces cerevisiae Rce1p Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein 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 granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis cytoplasmic intermediate filament 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
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical 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
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus 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 donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum Lamin-C, putative 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 japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
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
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Enteropeptidase, putative Trypsin   231 aa 262 aa 25.6 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin   231 aa 263 aa 27.8 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin   231 aa 239 aa 28.4 %
Schistosoma japonicum Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative Trypsin   231 aa 204 aa 25.0 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin   231 aa 214 aa 22.0 %
Loa Loa (eye worm) hypothetical protein Trypsin   231 aa 238 aa 21.4 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin   231 aa 271 aa 29.1 %
Brugia malayi hypothetical protein Ras converting CAAX endopeptidase 1 225 aa 181 aa 21.6 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin   231 aa 233 aa 27.9 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin   231 aa 256 aa 28.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin   231 aa 227 aa 33.5 %
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 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin   231 aa 225 aa 21.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin   231 aa 301 aa 22.3 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin   231 aa 262 aa 31.3 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin   231 aa 233 aa 33.0 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin   231 aa 255 aa 31.8 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin   231 aa 239 aa 27.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin   231 aa 233 aa 32.2 %
Drosophila melanogaster Jonah 65Aii Trypsin   231 aa 235 aa 35.3 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 247 aa 35.2 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin   231 aa 249 aa 24.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin   231 aa 245 aa 31.4 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin   231 aa 249 aa 27.7 %
Echinococcus granulosus glycoprotein Antigen 5 Trypsin   231 aa 301 aa 23.9 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 302 aa 24.8 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin   231 aa 234 aa 33.8 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin   231 aa 221 aa 33.5 %
Drosophila melanogaster CG6582 gene product from transcript CG6582-RA Trypsin   231 aa 187 aa 23.5 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin   231 aa 249 aa 31.3 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 201 aa 22.9 %
Drosophila melanogaster Jonah 66Ci Trypsin   231 aa 234 aa 32.9 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Trypsin   231 aa 245 aa 29.0 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin   231 aa 300 aa 22.3 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 286 aa 25.2 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus enteropeptidase Trypsin   231 aa 230 aa 28.3 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin   231 aa 212 aa 27.4 %
Onchocerca volvulus Trypsin   231 aa 212 aa 21.2 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin   231 aa 246 aa 21.1 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin   231 aa 286 aa 24.8 %
Echinococcus multilocularis enteropeptidase Trypsin   231 aa 230 aa 27.8 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin   231 aa 238 aa 29.4 %
Drosophila melanogaster Jonah 99Ci Trypsin   231 aa 235 aa 31.9 %
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Trypsin   231 aa 245 aa 38.8 %
Drosophila melanogaster CG9997 gene product from transcript CG9997-RB Trypsin   231 aa 194 aa 23.2 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Trypsin   231 aa 242 aa 28.9 %
Schistosoma japonicum IPR001254,Peptidase S1 and S6, chymotrypsin/Hap;IPR009003,Peptidase, trypsin-like serine and cysteine,domain-containing Trypsin   231 aa 225 aa 23.1 %
Trypanosoma cruzi hypothetical protein, conserved Trypsin   231 aa 188 aa 23.9 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin   231 aa 210 aa 23.3 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin   231 aa 232 aa 30.6 %
Echinococcus multilocularis Mastin Trypsin   231 aa 306 aa 24.2 %
Neospora caninum ELMO/CED-12 family domain-containing protein, putative Trypsin   231 aa 193 aa 22.8 %
Drosophila melanogaster Jonah 65Aiii Trypsin   231 aa 241 aa 34.0 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Trypsin   231 aa 209 aa 29.7 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Trypsin   231 aa 242 aa 31.8 %
Echinococcus granulosus Mastin Trypsin   231 aa 306 aa 23.9 %
Onchocerca volvulus Trypsin   231 aa 251 aa 22.7 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin   231 aa 303 aa 24.1 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin   231 aa 254 aa 28.4 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 237 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0221 0.7624 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0645 0.0645
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0221 0.7624 0.5
Giardia lamblia Hypothetical protein 0.0221 0.7624 0.5
Echinococcus granulosus CAAX prenyl protease 2 0.0221 0.7624 0.7619
Loa Loa (eye worm) hypothetical protein 0.0032 0.0623 0.0623
Onchocerca volvulus 0.0058 0.1595 0.3161
Plasmodium vivax protease, putative 0.0046 0.1129 0.5
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0221 0.7624 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0645 0.0645
Brugia malayi CAAX amino terminal protease family protein 0.0221 0.7624 0.7604
Echinococcus multilocularis CAAX prenyl protease 2 0.0221 0.7624 0.7619
Loa Loa (eye worm) hypothetical protein 0.0114 0.3649 0.3649
Echinococcus multilocularis lamin 0.0033 0.0645 0.0624
Loa Loa (eye worm) hypothetical protein 0.0221 0.7624 0.7624
Echinococcus multilocularis lamin dm0 0.0033 0.0645 0.0624
Echinococcus granulosus geminin 0.0205 0.7007 0.7001
Mycobacterium ulcerans integral membrane protein 0.0046 0.1129 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.1129 0.5
Entamoeba histolytica CAAX prenyl protease family 0.0221 0.7624 1
Mycobacterium ulcerans hypothetical protein 0.0046 0.1129 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.1129 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Brugia malayi Trypsin family protein 0.0114 0.3649 0.3594
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0046 0.1129 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0645 0.0564
Treponema pallidum hypothetical protein 0.0046 0.1129 0.5
Onchocerca volvulus 0.0106 0.3375 0.9087
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.3649 0.4304
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0.1129 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.3649 0.4304
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0022
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0086 0.0086
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1595 0.1522
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0046 0.1129 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.1595 0.1361
Echinococcus granulosus lamin 0.0033 0.0645 0.0624
Echinococcus multilocularis geminin 0.0205 0.7007 0.7001
Chlamydia trachomatis hypothetical protein 0.0046 0.1129 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.7007 0.9116
Brugia malayi intermediate filament protein 0.0033 0.0645 0.0564
Schistosoma mansoni hypothetical protein 0.0058 0.1595 0.1361
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0221 0.7624 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.0046 0.1129 0.5
Trypanosoma brucei CAAX amino terminal protease, putative 0.0221 0.7624 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.3649 0.3649
Echinococcus granulosus lamin dm0 0.0033 0.0645 0.0624
Schistosoma mansoni hypothetical protein 0.0205 0.7007 0.9116
Echinococcus granulosus intermediate filament protein 0.0033 0.0645 0.0624
Mycobacterium tuberculosis Probable integral membrane protein 0.0046 0.1129 0.5
Onchocerca volvulus 0.0114 0.3649 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0221 0.7624 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0645 0.0645
Echinococcus multilocularis musashi 0.0033 0.0645 0.0624
Mycobacterium ulcerans hypothetical protein 0.0046 0.1129 0.5
Plasmodium falciparum protease, putative 0.0046 0.1129 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0221 0.7624 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.64 uM PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 5.992 uM PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 6.983 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) 1.2995 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 3.1623 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID492947] ChEMBL. No reference
Potency (functional) 11.5821 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) 14.581 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 (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 63.0957 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) 79.4328 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.