Detailed information for compound 1356894

Basic information

Technical information
  • TDR Targets ID: 1356894
  • Name: 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3 -carbonitrile
  • MW: 242.296 | Formula: C13H10N2OS
  • H donors: 1 H acceptors: 3 LogP: 3.27 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cc(nc(c1C#N)O)c1ccccc1
  • InChi: 1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16)
  • InChiKey: LMJDNUBVFKYAGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(methylthio)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
  • 2-keto-4-(methylthio)-6-phenyl-1H-pyridine-3-carbonitrile
  • Oprea1_528660
  • 4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
  • MLS000755952
  • SMR000337989
  • Bionet2_000816
  • 11K-592S
  • ZINC01383071

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) References
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) Get druggable targets OG5_126920 All targets in OG5_126920
Treponema pallidum thymidylate kinase (tmk) Get druggable targets OG5_126920 All targets in OG5_126920
Chlamydia trachomatis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Putative thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica Thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Toxoplasma gondii thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium yoelii Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00943 dTMP kinase [EC2.7.4.9], putative Get druggable targets OG5_126920 All targets in OG5_126920
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma brucei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania mexicana thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania major thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma cruzi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus granulosus thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Theileria parva thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma mansoni thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Loa Loa (eye worm) thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Giardia lamblia CDC8 Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma japonicum Thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium ulcerans thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Neospora caninum Thymidylate kinase, related Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Candida albicans Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) Get druggable targets OG5_126920 All targets in OG5_126920
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126920 All targets in OG5_126920
Brugia malayi thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
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
Cryptosporidium hominis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Trichomonas vaginalis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium knowlesi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0034 0.1472 0.358
Trypanosoma brucei thymidylate kinase, putative 0.0087 0.4113 1
Schistosoma mansoni hypothetical protein 0.0006 0.0054 0.0054
Trypanosoma cruzi thymidylate kinase, putative 0.0087 0.4113 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2529 0.2529
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.0006 0.0054 0.0132
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0054 0.0054
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0054 0.0054
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0034 0.1472 0.358
Brugia malayi Calcium binding EGF domain containing protein 0.0006 0.0054 0.0132
Onchocerca volvulus Terribly reduced optic lobes homolog 0.0006 0.0054 0.0132
Schistosoma mansoni hypothetical protein 0.0205 1 1
Onchocerca volvulus Arrow homolog 0.0006 0.0054 0.0132
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1997 0.4855
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2529 0.6148
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0006 0.0054 0.0132
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Giardia lamblia CDC8 0.0087 0.4113 1
Entamoeba histolytica Thymidylate kinase, putative 0.0087 0.4113 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1997 0.4855
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Trichomonas vaginalis thymidylate kinase, putative 0.0087 0.4113 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Onchocerca volvulus 0.0006 0.0054 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Schistosoma mansoni thymidylate kinase 0.0087 0.4113 0.4113
Onchocerca volvulus 0.0006 0.0054 0.0132
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.1997 0.4855
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0054 0.0054
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Echinococcus granulosus Low density lipoprotein receptor class A cysteine rich 0.0006 0.0054 0.0054
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1997 0.1997
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2529 0.6148
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1997 0.1997
Leishmania major thymidylate kinase-like protein 0.0087 0.4113 1
Loa Loa (eye worm) inositol-1 0.0045 0.1997 0.4855
Onchocerca volvulus 0.0006 0.0054 0.0132
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1997 0.4855
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.0054 0.0054
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0087 0.4113 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2529 0.2529
Onchocerca volvulus 0.0006 0.0054 0.0132
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1763 0.4286
Schistosoma mansoni thymidylate kinase 0.0087 0.4113 0.4113
Chlamydia trachomatis thymidylate kinase 0.0087 0.4113 1
Echinococcus granulosus basement membrane specific heparan sulfate 0.0006 0.0054 0.0054
Mycobacterium ulcerans thymidylate kinase 0.0087 0.4113 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2529 0.2529
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0087 0.4113 1
Echinococcus granulosus thymidylate kinase 0.0087 0.4113 0.4113
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1763 0.4286
Onchocerca volvulus 0.0006 0.0054 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Echinococcus granulosus basement membrane specific heparan sulfate 0.0006 0.0054 0.0054
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0006 0.0054 0.0132
Echinococcus granulosus low density lipoprotein receptor ldl 0.0006 0.0054 0.0054
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0006 0.0054 0.0132
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Toxoplasma gondii thymidylate kinase 0.0087 0.4113 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1997 0.4855
Plasmodium vivax thymidylate kinase, putative 0.0087 0.4113 0.5
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0006 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Treponema pallidum thymidylate kinase (tmk) 0.0087 0.4113 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Loa Loa (eye worm) thymidylate kinase 0.0087 0.4113 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2529 0.2529
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Echinococcus granulosus 5'partial|Low density lipoprotein receptor class A cysteine rich 0.0006 0.0054 0.0054
Leishmania major hypothetical protein, conserved 0.0034 0.1472 0.358
Trichomonas vaginalis thymidylate kinase, putative 0.0087 0.4113 1
Echinococcus multilocularis thymidylate kinase 0.0087 0.4113 0.4113
Schistosoma mansoni inositol monophosphatase 0.0045 0.1997 0.1997
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0006 0.0054 0.0132
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1997 0.4855
Brugia malayi thymidylate kinase 0.0087 0.4113 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.0054 0.0054
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1997 0.4855
Brugia malayi enteropeptidase precursor 0.0006 0.0054 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Schistosoma mansoni hypothetical protein 0.0087 0.4113 0.4113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2529 0.2529
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.0054 0.0054
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0006 0.0054 0.0054
Schistosoma mansoni inositol monophosphatase 0.0045 0.1997 0.1997
Echinococcus granulosus low density lipoprotein receptor protein 0.0006 0.0054 0.0054
Onchocerca volvulus 0.0006 0.0054 0.0132
Brugia malayi Inositol-1 0.0045 0.1997 0.4855
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1997 0.4855
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1997 0.4855
Trypanosoma brucei thymidylate kinase, putative 0.0087 0.4113 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2529 0.2529
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Plasmodium falciparum thymidylate kinase 0.0087 0.4113 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.0087 0.4113 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0054 0.0132
Brugia malayi basement membrane proteoglycan precursor 0.0006 0.0054 0.0132
Brugia malayi CUB domain containing protein 0.0006 0.0054 0.0132
Echinococcus granulosus low density lipoprotein receptor ldl 0.0006 0.0054 0.0054
Echinococcus multilocularis Low density lipoprotein receptor, class A, cysteine rich 0.0006 0.0054 0.0054
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0087 0.4113 1
Echinococcus multilocularis low density lipoprotein receptor protein 0.0006 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1997 0.4855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0006 0.0054 0.0132
Onchocerca volvulus Putative thymidylate kinase 0.0087 0.4113 1
Schistosoma mansoni hypothetical protein 0.0006 0.0054 0.0054

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.9 uM Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay ChEMBL. 25486447
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 10 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) 14.581 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 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 (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 89.1251 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

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

1 literature reference was collected for this gene.

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