Detailed information for compound 1374556

Basic information

Technical information
  • TDR Targets ID: 1374556
  • Name: (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)meth ylidene]-3-[(2-fluorophenyl)methyl]imidazolid ine-2,4-dione
  • MW: 341.379 | Formula: C19H20FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(C)cc(c1C)/C=C\1/NC(=O)N(C1=O)Cc1ccccc1F
  • InChi: 1S/C19H20FN3O2/c1-4-22-12(2)9-15(13(22)3)10-17-18(24)23(19(25)21-17)11-14-7-5-6-8-16(14)20/h5-10H,4,11H2,1-3H3,(H,21,25)/b17-10+
  • InChiKey: SCVQDPXAMFBHQS-LICLKQGHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
  • (5E)-5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
  • (5E)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-(2-fluorobenzyl)hydantoin
  • (5E)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
  • ZINC00202497
  • 5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-3-(2-fluorobenzyl)-2,4-imidazolidinedione
  • MLS000702702
  • SMR000226518
  • STK162218
  • AH-487/41655663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0232
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0166 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0035 0.0233 0.26
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0089 0.022
Brugia malayi Carboxylesterase family protein 0.0207 0.2065 0.281
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0166 0.1394
Brugia malayi hypothetical protein 0.0035 0.0233 0.0259
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0619 0.2777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1935
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0166 0.1394
Schistosoma mansoni hypothetical protein 0.0205 0.2045 0.9899
Echinococcus granulosus phd:f box containing protein 0.0019 0.0063 0.0119
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0063 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0643 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0141
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1935
Echinococcus granulosus lamin dm0 0.0033 0.0208 0.0624
Loa Loa (eye worm) carboxylesterase 0.0035 0.0233 0.0731
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0166 0.1394
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Brugia malayi Telomerase reverse transcriptase 0.069 0.723 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0035 0.0233 0.0711
Echinococcus granulosus acetylcholinesterase 0.0207 0.2065 0.7071
Brugia malayi hypothetical protein 0.0286 0.2909 0.3985
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0207 0.2065 1
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0063 0.0119
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0166 0.1394
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0166 0.0166
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0643 0.2262
Brugia malayi Carboxylesterase family protein 0.0035 0.0233 0.0259
Loa Loa (eye worm) hypothetical protein 0.0207 0.2065 0.7077
Onchocerca volvulus 0.0029 0.0166 0.0166
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0619 0.2777
Echinococcus multilocularis musashi 0.0033 0.0208 0.0624
Schistosoma mansoni lamin 0.0033 0.0208 0.0726
Echinococcus multilocularis acetylcholinesterase 0.0207 0.2065 0.7071
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0089 0.0102
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0022
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0166 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2909 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0166 0.0403
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2909 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0063 0.0119
Echinococcus granulosus neuroligin 0.0035 0.0233 0.0711
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0022
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0141
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0208 0.0225
Loa Loa (eye worm) acetylcholinesterase 1 0.0207 0.2065 0.7077
Schistosoma mansoni survival motor neuron protein 0.0058 0.0482 0.2095
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0141
Brugia malayi jmjC domain containing protein 0.0071 0.0619 0.0796
Onchocerca volvulus 0.0033 0.0208 0.0208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.045 0.1465
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0166 0.0403
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0166 0.1394
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0482 0.0606
Brugia malayi Carboxylesterase family protein 0.0035 0.0233 0.0259
Echinococcus multilocularis carboxylesterase 5A 0.0207 0.2065 0.7071
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0643 0.2135
Schistosoma mansoni intermediate filament proteins 0.0033 0.0208 0.0726
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0035 0.0233 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0643 1
Onchocerca volvulus 0.0035 0.0233 0.0233
Schistosoma mansoni acetylcholinesterase 0.0035 0.0233 0.0851
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0643 0.2262
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0035 0.0233 0.0711
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0166 0.1394
Loa Loa (eye worm) hypothetical protein 0.0032 0.0202 0.0623
Echinococcus granulosus geminin 0.0205 0.2045 0.7001
Schistosoma mansoni hypothetical protein 0.0205 0.2045 0.9899
Mycobacterium ulcerans hypothetical protein 0.0029 0.0166 0.1394
Onchocerca volvulus 0.0035 0.0233 0.0233
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0643 0.2135
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0643 1
Schistosoma mansoni hypothetical protein 0.0058 0.0482 0.2095
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0233 0.0851
Onchocerca volvulus 0.0035 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.0233 0.2763
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0166 0.0166
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0063 0.0119
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.0233 0.2763
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0619 0.205
Trichomonas vaginalis spcc417.12 protein, putative 0.0035 0.0233 0.5
Schistosoma mansoni gliotactin 0.0035 0.0233 0.0851
Echinococcus multilocularis para nitrobenzyl esterase 0.0035 0.0233 0.0711
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0619 0.205
Echinococcus granulosus para nitrobenzyl esterase 0.0035 0.0233 0.0711
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0063 0.0119
Brugia malayi jmjC domain containing protein 0.0071 0.0619 0.0796
Loa Loa (eye worm) hypothetical protein 0.0033 0.0208 0.0645
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0166 0.5
Loa Loa (eye worm) carboxylesterase 0.0035 0.0233 0.0731
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Echinococcus granulosus intermediate filament protein 0.0033 0.0208 0.0624
Brugia malayi Carboxylesterase family protein 0.0207 0.2065 0.281
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0619 0.2777
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.05
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.045 0.1465
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0259 0.263 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0208 0.0645
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0089 0.0102
Echinococcus multilocularis geminin 0.0205 0.2045 0.7001
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0233 0.0851
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.045 0.0562
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0166 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0089 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0141
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0259 0.263 1
Brugia malayi intermediate filament protein 0.0033 0.0208 0.0225
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.05
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.045 0.1483
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0643 0.2899
Loa Loa (eye worm) carboxylesterase 0.0207 0.2065 0.7077
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0063 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.045 0.1935
Trypanosoma brucei telomerase reverse transcriptase 0.0259 0.263 1
Echinococcus granulosus BC026374 protein S09 family 0.0035 0.0233 0.0711
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0063 0.0119
Loa Loa (eye worm) hypothetical protein 0.0286 0.2909 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0259 0.263 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0166 0.1394
Schistosoma mansoni BC026374 protein (S09 family) 0.0035 0.0233 0.0851
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0063 0.0119
Echinococcus multilocularis acetylcholinesterase 0.0207 0.2065 0.7071
Loa Loa (eye worm) hypothetical protein 0.0207 0.2065 0.7077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.045 0.1465
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0166 0.1583
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0232
Toxoplasma gondii RNA-directed DNA polymerase 0.0259 0.263 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0035 0.0233 0.0711
Echinococcus granulosus carboxylesterase 5A 0.0207 0.2065 0.7071
Echinococcus granulosus lamin 0.0033 0.0208 0.0624
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0166 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0619 0.2067
Onchocerca volvulus 0.0033 0.0208 0.0208
Onchocerca volvulus 0.0058 0.0482 0.0482
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0063 0.0119
Mycobacterium tuberculosis Carboxylesterase LipT 0.0035 0.0233 0.2763
Onchocerca volvulus 0.0035 0.0233 0.0233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.045 0.1465
Brugia malayi Carboxylesterase family protein 0.0035 0.0233 0.0259
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0141
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0619 0.205
Schistosoma mansoni neuroligin 3 (S09 family) 0.0035 0.0233 0.0851
Onchocerca volvulus 0.0035 0.0233 0.0233
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0643 0.2899
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0643 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0166 0.1583
Leishmania major telomerase reverse transcriptase, putative 0.0259 0.263 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0232
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0022
Giardia lamblia Telomerase catalytic subunit 0.0259 0.263 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0233 0.0851
Echinococcus granulosus acetylcholinesterase 0.0207 0.2065 0.7071
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Loa Loa (eye worm) hypothetical protein 0.0016 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.0021 0.0089 0.0232
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0022
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0619 0.205
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0141
Echinococcus multilocularis lamin dm0 0.0033 0.0208 0.0624
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0208 0.0645
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.05
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0166 0.0403
Plasmodium falciparum telomerase reverse transcriptase 0.0259 0.263 1
Echinococcus multilocularis lamin 0.0033 0.0208 0.0624
Echinococcus multilocularis neuroligin 0.0035 0.0233 0.0711
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0166 0.0166
Brugia malayi Carboxylesterase family protein 0.0035 0.0233 0.0259
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0731
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0047 0.0086
Schistosoma mansoni lamin 0.0033 0.0208 0.0726

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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
Potency (functional) 9.285 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) 11.6891 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) = 14.1254 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 28.1838 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) 29.0929 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) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

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