Detailed information for compound 1360171

Basic information

Technical information
  • TDR Targets ID: 1360171
  • Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(2- methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobut anamide
  • MW: 419.516 | Formula: C20H26FN5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1nnc(s1)NC(=O)CCC(=O)N1CCN(CC1)c1ccccc1F)C
  • InChi: 1S/C20H26FN5O2S/c1-14(2)13-18-23-24-20(29-18)22-17(27)7-8-19(28)26-11-9-25(10-12-26)16-6-4-3-5-15(16)21/h3-6,14H,7-13H2,1-2H3,(H,22,24,27)
  • InChiKey: KNYCRCOJGZPXGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide
  • 4-[4-(2-fluorophenyl)-1-piperazinyl]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
  • 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-keto-butyramide
  • 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-butanamide
  • STOCK4S-38792
  • ZINC05158579

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Liver stage antigen-like protein 0.0018 0.023 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0093 0.0332
Echinococcus granulosus sorting nexin 0.0018 0.023 0.023
Plasmodium vivax phosphatidylglycerophosphate synthase, putative 0.0065 0.1209 1
Brugia malayi Phospholipase d protein 1 0.0409 0.8255 1
Chlamydia trachomatis phospholipase D superfamily protein 0.0065 0.1209 1
Brugia malayi PXA domain containing protein 0.0018 0.023 0.0279
Loa Loa (eye worm) phospholipase D 0.0077 0.1449 0.2096
Echinococcus granulosus geminin 0.0205 0.4064 0.4064
Echinococcus multilocularis sorting nexin 0.0018 0.023 0.023
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0093 0.5
Trypanosoma cruzi hypothetical protein 0.0018 0.023 0.0825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0918 0.0918
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0018 0.023 0.0333
Trypanosoma brucei cardiolipin synthetase 0.0143 0.2792 1
Onchocerca volvulus 0.0011 0.0093 0.0639
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0093 0.0112
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0018 0.023 0.0825
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0093 0.0332
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0093 0.0093
Trypanosoma cruzi cardiolipin synthetase, putative 0.0143 0.2792 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0093 0.4021
Brugia malayi hypothetical protein 0.004 0.0694 0.084
Trypanosoma cruzi zinc finger protein kinase, putative 0.0018 0.023 0.0825
Trypanosoma brucei cardiolipin synthetase, putative 0.0143 0.2792 1
Echinococcus multilocularis sorting nexin 4 0.0018 0.023 0.023
Loa Loa (eye worm) PX domain-containing protein 0.0018 0.023 0.0333
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1214 0.4349
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0093 0.4021
Echinococcus granulosus nischarin 0.0018 0.023 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Loa Loa (eye worm) PXA domain-containing protein 0.0018 0.023 0.0333
Brugia malayi PXA domain containing protein 0.0018 0.023 0.0279
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0918 0.0918
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Schistosoma mansoni sortingnexin-related 0.0018 0.023 0.023
Trypanosoma cruzi Autophagy-related protein 24 0.0018 0.023 0.0825
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0093 0.0332
Echinococcus granulosus phospholipase D 0.0361 0.7276 0.7276
Brugia malayi TRAF4-associated factor 2 0.0018 0.023 0.0279
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0093 0.0093
Schistosoma mansoni cpg binding protein 0.0035 0.0578 0.0578
Trypanosoma cruzi hypothetical protein 0.0018 0.023 0.0825
Schistosoma mansoni hypothetical protein 0.0494 1 1
Echinococcus granulosus Phox 0.0018 0.023 0.023
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0093 0.0112
Wolbachia endosymbiont of Brugia malayi cardiolipin synthase 0.0065 0.1209 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0093 0.4021
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0043
Schistosoma mansoni phospholipase D 0.0409 0.8255 0.8255
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0043 0.0043
Echinococcus granulosus phospholipase D1 0.0409 0.8255 0.8255
Plasmodium falciparum mitochondrial cardiolipin synthase, putative 0.0065 0.1209 1
Echinococcus multilocularis nibrin 0.0011 0.0093 0.0093
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0043 0.0043
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.0093 0.0766
Loa Loa (eye worm) hypothetical protein 0.0065 0.1209 0.175
Schistosoma mansoni sorting nexin 0.0018 0.023 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Trypanosoma cruzi FHA domain containing protein, putative 0.0011 0.0093 0.0332
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0694 0.0694
Entamoeba histolytica hypothetical protein 0.0018 0.023 0.0279
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0.0093 0.5
Schistosoma mansoni topbp1 0.0011 0.0093 0.0093
Treponema pallidum DNA ligase (lig) 0.0011 0.0093 0.5
Echinococcus granulosus sorting nexin 13 0.0018 0.023 0.023
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0086 0.0086
Entamoeba histolytica PX domain protein 0.0018 0.023 0.0279
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Schistosoma mansoni CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase 0.0065 0.1209 0.1209
Brugia malayi Phospholipase D. Active site motif family protein 0.0143 0.2792 0.3382
Loa Loa (eye worm) hypothetical protein 0.0018 0.023 0.0333
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0918 0.0918
Giardia lamblia Hypothetical protein 0.0018 0.023 1
Echinococcus multilocularis phospholipase D 0.0361 0.7276 0.7276
Echinococcus multilocularis geminin 0.0205 0.4064 0.4064
Plasmodium falciparum phosphatidylglycerophosphate synthase 0.0065 0.1209 1
Loa Loa (eye worm) PX domain-containing protein 0.0018 0.023 0.0333
Echinococcus granulosus sorting nexin 14 0.0018 0.023 0.023
Brugia malayi Phospholipase D. Active site motif family protein 0.0077 0.1449 0.1755
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Echinococcus multilocularis ribosomal protein S6 kinase delta 1 0.0018 0.023 0.023
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.0093 0.0766
Chlamydia trachomatis phospholipase D superfamily protein 0.0065 0.1209 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0093 0.4021
Schistosoma mansoni sorting nexin 0.0018 0.023 0.023
Entamoeba histolytica hypothetical protein 0.0024 0.0364 0.0441
Schistosoma mansoni cpg binding protein 0.0037 0.0618 0.0618
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Echinococcus granulosus phospholipase d3 0.0077 0.1449 0.1449
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0065 0.1209 1
Entamoeba histolytica hypothetical protein 0.004 0.0694 0.084
Loa Loa (eye worm) hypothetical protein 0.0077 0.1449 0.2096
Plasmodium vivax WD domain, G-beta repeat domain containing protein 0.0018 0.023 0.1905
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Echinococcus multilocularis cpg binding protein 0.0037 0.0618 0.0618
Schistosoma mansoni topbp1 0.0011 0.0093 0.0093
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0093 0.0332
Brugia malayi Variant SH3 domain containing protein 0.0018 0.023 0.0279
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0143 0.2792 1
Entamoeba histolytica hypothetical protein 0.004 0.0694 0.084
Trypanosoma brucei Autophagy-related protein 24 0.0018 0.023 0.0825
Trypanosoma brucei PX domain containing protein, putative 0.0018 0.023 0.0825
Echinococcus granulosus sorting nexin 0.0018 0.023 0.023
Trypanosoma cruzi PX domain containing protein, putative 0.0018 0.023 0.0825
Entamoeba histolytica hypothetical protein 0.004 0.0694 0.084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0093 0.0332
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Giardia lamblia Hypothetical protein 0.0018 0.023 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Leishmania major phosphoinositide-binding protein, putative 0.0018 0.023 0.159
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Toxoplasma gondii hypothetical protein 0.0018 0.023 0.0825
Schistosoma mansoni hypothetical protein 0.0205 0.4064 0.4064
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0086 0.0086
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0018 0.023 0.0333
Echinococcus granulosus nibrin 0.0011 0.0093 0.0093
Onchocerca volvulus 0.0018 0.023 0.159
Trypanosoma cruzi PX domain containing protein, putative 0.0018 0.023 0.0825
Echinococcus multilocularis nischarin 0.0018 0.023 0.023
Trypanosoma cruzi PX domain containing protein, putative 0.0018 0.023 0.0825
Loa Loa (eye worm) PX domain-containing protein 0.0018 0.023 0.0333
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0694 0.0694
Giardia lamblia Hypothetical protein 0.0018 0.023 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0018 0.023 0.023
Trypanosoma brucei differentiation inhibitory kinase 0.0018 0.023 0.0825
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0093 0.4021
Plasmodium falciparum phosphoinositide-binding protein, putative 0.0018 0.023 0.1905
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Echinococcus multilocularis sorting nexin 2 0.0018 0.023 0.023
Schistosoma mansoni hypothetical protein 0.0205 0.4064 0.4064
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Loa Loa (eye worm) TRAF4-associated factor 2 0.0018 0.023 0.0333
Plasmodium falciparum phosphoinositide-binding protein, putative 0.0018 0.023 0.1905
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0918 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0134
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Loa Loa (eye worm) hypothetical protein 0.0266 0.533 0.771
Brugia malayi hypothetical protein 0.0065 0.1209 0.1465
Echinococcus multilocularis 0.0018 0.023 0.023
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0027 0.1187
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.1187
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0065 0.1209 1
Giardia lamblia Hypothetical protein 0.0018 0.023 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Echinococcus multilocularis phospholipase D1 0.0409 0.8255 0.8255
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0093 0.4021
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Loa Loa (eye worm) sorting nexin 12 0.0018 0.023 0.0333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0018 0.023 0.0333
Trichomonas vaginalis helicase, putative 0.0008 0.0027 0.1187
Brugia malayi DKFZp564C0469 protein 0.0011 0.0093 0.0112
Loa Loa (eye worm) hypothetical protein 0.0266 0.533 0.771
Schistosoma mansoni sorting nexin 0.0018 0.023 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Brugia malayi hypothetical protein 0.0011 0.0093 0.0112
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.0093 0.0332
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0086 0.0125
Schistosoma mansoni sorting nexin 0.0018 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0343 0.6912 1
Plasmodium vivax cardiolipin synthetase, putative 0.0065 0.1209 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0918 0.0918
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0578 0.0836
Brugia malayi CXXC zinc finger family protein 0.0035 0.0578 0.07
Schistosoma mansoni cpg binding protein 0.0037 0.0618 0.0618
Loa Loa (eye worm) hypothetical protein 0.0018 0.023 0.0333
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0043 0.0043
Brugia malayi topoisomerase 0.0011 0.0093 0.0112
Schistosoma mansoni DNA ligase IV 0.0011 0.0093 0.0093
Onchocerca volvulus 0.0035 0.0578 0.3987
Echinococcus multilocularis sorting nexin 14 0.0018 0.023 0.023
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0065 0.1209 1
Echinococcus granulosus cpg binding protein 0.0037 0.0618 0.0618
Trypanosoma cruzi cardiolipin synthetase, putative 0.0143 0.2792 1
Trypanosoma cruzi hypothetical protein 0.0018 0.023 0.0825
Giardia lamblia hypothetical protein 0.0018 0.023 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Leishmania major cardiolipin synthetase, putative 0.0065 0.1209 0.8348
Echinococcus granulosus sorting nexin 2 0.0018 0.023 0.023
Brugia malayi PX domain containing protein 0.0018 0.023 0.0279
Echinococcus multilocularis sorting nexin 0.0018 0.023 0.023
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0093 0.4021
Echinococcus multilocularis sorting nexin 6 0.0018 0.023 0.023
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0093 0.0093
Onchocerca volvulus Putative phospholipase D 0.0077 0.1449 1
Leishmania major hypothetical protein, conserved 0.0018 0.023 0.159
Trypanosoma cruzi Autophagy-related protein 24 0.0018 0.023 0.0825
Trypanosoma brucei PX domain containing protein, putative 0.0018 0.023 0.0825
Entamoeba histolytica hypothetical protein 0.004 0.0694 0.084
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Entamoeba histolytica hypothetical protein 0.0018 0.023 0.0279
Echinococcus granulosus sorting nexin 6 0.0018 0.023 0.023
Brugia malayi Sorting nexin 12 0.0018 0.023 0.0279
Leishmania major zinc finger protein kinase-like 0.0018 0.023 0.159
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0694 0.0694
Echinococcus multilocularis Phox 0.0018 0.023 0.023
Schistosoma mansoni hypothetical protein 0.004 0.0694 0.0694
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0093 0.4021
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0065 0.1209 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0918 0.1113
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.023 0.0279
Entamoeba histolytica phospholipase D active site domain-containing protein 0.0343 0.6912 0.8373
Leishmania major phosphatidylglycerophosphate synthase, putative 0.0077 0.1449 1
Brugia malayi Protein K4 0.0065 0.1209 0.1465
Trypanosoma brucei phosphatidylglycerolphosphate synthase, mitochondrial 0.0065 0.1209 0.4332
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Entamoeba histolytica hypothetical protein 0.0011 0.0093 0.0112
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0027 0.1187
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0093 0.4021
Entamoeba histolytica phospholipase D, putative 0.0409 0.8255 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1375 0.1375
Loa Loa (eye worm) hypothetical protein 0.0343 0.6912 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0918 0.1329
Plasmodium vivax hypothetical protein, conserved 0.0018 0.023 0.1905
Echinococcus granulosus sorting nexin 4 0.0018 0.023 0.023
Echinococcus granulosus ribosomal protein S6 kinase delta 1 0.0018 0.023 0.023
Onchocerca volvulus 0.0018 0.023 0.159
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.1187
Echinococcus multilocularis phospholipase d3 0.0077 0.1449 0.1449
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0093 0.0112
Loa Loa (eye worm) hypothetical protein 0.0018 0.023 0.0333
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0093 0.4021
Entamoeba histolytica phospholipase D, putative 0.0409 0.8255 1
Brugia malayi hypothetical protein 0.0011 0.0093 0.0112
Entamoeba histolytica hypothetical protein 0.0018 0.023 0.0279
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.023 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0043
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0083 0.0101

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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