Detailed information for compound 1579256

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.189 | Formula: C10H19Cl2N8O4P
  • H donors: 5 H acceptors: 4 LogP: 0.91 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(NNc1nc(N)c(nc1Cl)C(=O)NC(=N)N)OCC.Cl
  • InChi: 1S/C10H18ClN8O4P.ClH/c1-3-22-24(21,23-4-2)19-18-8-6(11)15-5(7(12)16-8)9(20)17-10(13)14;/h3-4H2,1-2H3,(H,19,21)(H3,12,16,18)(H4,13,14,17,20);1H
  • InChiKey: VKKJKDICGIAQQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.105 0.111 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.105 0.111 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.105 0.111 0.111
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0193 0.0159 0.0159
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0193 0.0159 0.0159
Echinococcus multilocularis insulin receptor 0.0193 0.0159 0.0159
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0052 0.0003 0.0003
Echinococcus multilocularis caspase 2 0.0081 0.0035 0.0035
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.105 0.111 0.111
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0186 0.0152 0.0152
Brugia malayi MBOAT family protein 0.105 0.111 0.111
Trypanosoma brucei protein kinase, putative 0.3877 0.4244 0.5704
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0069 0.0022 0.0022
Trypanosoma brucei glycerol uptake protein, putative 0.105 0.111 0.1417
Schistosoma mansoni zinc finger protein 0.105 0.111 0.111
Echinococcus granulosus neuroglian 0.0065 0.0018 0.0018
Schistosoma mansoni serine/threonine protein kinase 0.3877 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.105 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.105 0.111 0.111
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.578 0.6355 0.6355
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.3877 0.4244 0.5704
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.9067 1 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.105 0.111 0.111
Brugia malayi Immunoglobulin I-set domain containing protein 0.0847 0.0885 0.0885
Echinococcus granulosus insulin receptor 0.0193 0.0159 0.0159
Leishmania major glycerol uptake protein, putative 0.105 0.111 0.1417
Brugia malayi MBOAT family protein 0.105 0.111 0.111
Onchocerca volvulus 0.2523 0.2744 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Leishmania major glycerol uptake protein, putative 0.105 0.111 0.1417
Schistosoma mansoni tyrosine kinase 0.0193 0.0159 0.0159
Brugia malayi diacylglycerol acyltransferase 0.578 0.6355 0.6355
Echinococcus multilocularis Immunoglobulin 0.0052 0.0003 0.0003
Echinococcus granulosus o acyltransferase membrane bound domain 0.105 0.111 0.111
Brugia malayi Hhat protein 0.105 0.111 0.111
Brugia malayi MAP kinase sur-1 0.3877 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0219 0.0189 0.0189
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0115 0.0074 0.0074
Echinococcus multilocularis neuroglian 0.0065 0.0018 0.0018
Echinococcus multilocularis mitogen activated protein kinase 3 0.3877 0.4244 0.4244
Giardia lamblia Kinase, CMGC MAPK 0.3877 0.4244 1
Echinococcus multilocularis epidermal growth factor receptor 0.0152 0.0114 0.0114
Echinococcus granulosus twitchin 0.0101 0.0058 0.0058
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0003 0.0003
Brugia malayi hypothetical protein 0.0052 0.0003 0.0003
Echinococcus granulosus caspase 2 0.0081 0.0035 0.0035
Trypanosoma cruzi GUP1, putative 0.105 0.111 0.1417
Leishmania major hypothetical protein, conserved 0.105 0.111 0.1417
Echinococcus granulosus lysophospholipid acyltransferase 7 0.105 0.111 0.111
Loa Loa (eye worm) MBOAT family protein 0.105 0.111 0.111
Onchocerca volvulus 0.105 0.111 0.4044
Chlamydia trachomatis dihydrofolate reductase 0.9067 1 0.5
Brugia malayi diacylglycerol acyltransferase family protein 0.0186 0.0152 0.0152
Echinococcus granulosus Immunoglobulin 0.0052 0.0003 0.0003
Echinococcus granulosus thymidylate synthase 0.2523 0.2744 0.2744
Loa Loa (eye worm) hypothetical protein 0.1269 0.1353 0.1353
Schistosoma mansoni tyrosine kinase 0.0152 0.0114 0.0114
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.671 0.7386 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.105 0.111 0.111
Echinococcus multilocularis dual specificity mitogen activated protein 0.0115 0.0074 0.0074
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.105 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.3877 0.4244 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.671 0.7386 1
Loa Loa (eye worm) hypothetical protein 0.4731 0.5191 0.5191
Schistosoma mansoni protein kinase 0.0115 0.0074 0.0074
Trichomonas vaginalis CMGC family protein kinase 0.3877 0.4244 1
Echinococcus multilocularis Immunoglobulin 0.0052 0.0003 0.0003
Schistosoma mansoni cell adhesion molecule 0.0069 0.0022 0.0022
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.105 0.111 0.111
Echinococcus granulosus dual specificity mitogen activated protein 0.0115 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0081 0.0035 0.0035
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.105 0.111 0.111
Schistosoma mansoni dihydrofolate reductase 0.9067 1 1
Onchocerca volvulus Cell death protein 3 homolog 0.0081 0.0035 0.0128
Echinococcus granulosus epidermal growth factor receptor 0.0224 0.0194 0.0194
Leishmania major glycerol uptake protein, putative 0.105 0.111 0.1417
Brugia malayi MBOAT family protein 0.105 0.111 0.111
Brugia malayi hypothetical protein 0.12 0.1277 0.1277
Brugia malayi Protein kinase domain containing protein 0.0082 0.0037 0.0037
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0066 0.0019 0.0019
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.578 0.6355 0.8575
Schistosoma mansoni caspase-7 (C14 family) 0.0081 0.0035 0.0035
Echinococcus multilocularis 0.0067 0.002 0.002
Echinococcus granulosus defective proboscis extension response 0.0052 0.0003 0.0003
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.3877 0.4244 0.5704
Trichomonas vaginalis CMGC family protein kinase 0.3877 0.4244 1
Echinococcus multilocularis epidermal growth factor receptor 0.0224 0.0194 0.0194
Schistosoma mansoni tyrosine kinase 0.0224 0.0194 0.0194
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.105 0.111 0.111
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0186 0.0152 0.0152
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.105 0.111 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0224 0.0194 0.0194
Trichomonas vaginalis conserved hypothetical protein 0.105 0.111 0.2484
Trichomonas vaginalis conserved hypothetical protein 0.105 0.111 0.2484
Trichomonas vaginalis porcupine, putative 0.105 0.111 0.2484
Trypanosoma brucei glycerol uptake protein, putative 0.105 0.111 0.1417
Echinococcus multilocularis dihydrofolate reductase 0.9067 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.3877 0.4244 0.4244
Loa Loa (eye worm) diacylglycerol acyltransferase 0.578 0.6355 0.6355
Onchocerca volvulus 0.0771 0.0801 0.2918
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.3877 0.4244 0.5704
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.671 0.7386 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.3877 0.4244 0.5704
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0115 0.0074 0.0074
Schistosoma mansoni vesicular amine transporter 0.0052 0.0003 0.0003
Brugia malayi MBOAT family protein 0.105 0.111 0.111
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0186 0.0152 0.0107
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Loa Loa (eye worm) TK/ROR protein kinase 0.0055 0.0007 0.0007
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2523 0.2744 0.1682
Brugia malayi MBOAT family protein 0.105 0.111 0.111
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.9067 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0152 0.0114 0.0114
Schistosoma mansoni tyrosine kinase 0.0145 0.0107 0.0107
Onchocerca volvulus Tyrosine kinase homolog 0.0791 0.0823 0.2999
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.3877 0.4244 0.5657
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.671 0.7386 1
Echinococcus granulosus dihydrofolate reductase 0.9067 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2523 0.2744 0.2744
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.105 0.111 0.111
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.105 0.111 0.111
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.3877 0.4244 0.5704
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.105 0.111 0.111
Trypanosoma cruzi glycerol uptake protein, putative 0.105 0.111 0.1417
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.105 0.111 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.105 0.111 0.2484
Echinococcus granulosus mitogen activated protein kinase 3 0.3877 0.4244 0.4244
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.105 0.111 0.111
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0052 0.0003 0.0003
Schistosoma mansoni sterol O-acyltransferase 1 0.1269 0.1353 0.1353
Trichomonas vaginalis conserved hypothetical protein 0.12 0.1277 0.2885
Loa Loa (eye worm) hypothetical protein 0.0075 0.0029 0.0029
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0152 0.0114 0.0114
Leishmania major glycerol uptake protein, putative 0.105 0.111 0.1417
Loa Loa (eye worm) MBOAT family protein 0.105 0.111 0.111
Trypanosoma cruzi GUP1, putative 0.105 0.111 0.1417
Echinococcus granulosus mitogen activated protein kinase 0.3877 0.4244 0.4244
Loa Loa (eye worm) TK/EGFR protein kinase 0.0224 0.0194 0.0194
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.3877 0.4244 0.5704
Onchocerca volvulus 0.0186 0.0152 0.0553
Loa Loa (eye worm) hhat protein 0.105 0.111 0.111
Echinococcus granulosus o acyltransferase membrane bound domain 0.105 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.105 0.111 0.111
Brugia malayi Cell death protein 3 precursor 0.0081 0.0035 0.0035
Echinococcus granulosus membrane bound acyltransferase:hhat 0.105 0.111 0.111
Echinococcus granulosus roundabout 2 0.0082 0.0037 0.0037
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0186 0.0152 0.0107
Brugia malayi Protein kinase domain containing protein 0.0193 0.0159 0.0159
Loa Loa (eye worm) hhat protein 0.105 0.111 0.111
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.105 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0069 0.0022 0.0022
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0847 0.0885 0.0885
Trypanosoma cruzi glycerol uptake protein, putative 0.105 0.111 0.1417
Entamoeba histolytica hypothetical protein 0.105 0.111 0.5
Loa Loa (eye worm) MBOAT family protein 0.105 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0082 0.0037 0.0037
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.578 0.6355 0.6355
Leishmania major dihydrofolate reductase-thymidylate synthase 0.671 0.7386 1
Schistosoma mansoni nephrin 0.0065 0.0018 0.0018
Trypanosoma cruzi glycerol uptake protein, putative 0.105 0.111 0.1417
Schistosoma mansoni tyrosine kinase 0.0193 0.0159 0.0159
Echinococcus multilocularis thymidylate synthase 0.2523 0.2744 0.2744
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0186 0.0152 0.0107
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.105 0.111 0.111
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.0003 0.0003
Leishmania major diacylglycerol acyltransferase, putative 0.0186 0.0152 0.0107
Entamoeba histolytica hypothetical protein, conserved 0.105 0.111 0.5
Loa Loa (eye worm) thymidylate synthase 0.2523 0.2744 0.2744
Schistosoma mansoni tyrosine kinase 0.0152 0.0114 0.0114
Echinococcus multilocularis roundabout 2 0.0082 0.0037 0.0037
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.12 0.1277 0.1646
Loa Loa (eye worm) dihydrofolate reductase 0.9067 1 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.578 0.6355 0.8575
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.9067 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.1269 0.1353 0.1353
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0052 0.0003 0.0003
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.105 0.111 0.111
Brugia malayi Dihydrofolate reductase 0.9067 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.3877 0.4244 0.5704
Treponema pallidum alginate O-acetylation protein (algI) 0.105 0.111 0.5
Trichomonas vaginalis conserved hypothetical protein 0.105 0.111 0.2484
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.671 0.7386 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0003 0.0003
Loa Loa (eye worm) TK/INSR protein kinase 0.0193 0.0159 0.0159
Schistosoma mansoni tyrosine kinase 0.0145 0.0107 0.0107
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.578 0.6355 0.6355
Loa Loa (eye worm) hypothetical protein 0.105 0.111 0.111
Schistosoma mansoni hypothetical protein 0.105 0.111 0.111
Toxoplasma gondii hypothetical protein 0.105 0.111 0.1324
Leishmania major glycerol uptake protein, putative 0.105 0.111 0.1417
Brugia malayi thymidylate synthase 0.2523 0.2744 0.2744
Schistosoma mansoni tyrosine kinase 0.0145 0.0107 0.0107
Echinococcus granulosus sterol O acyltransferase 1 0.1269 0.1353 0.1353
Trichomonas vaginalis CMGC family protein kinase 0.3877 0.4244 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.3877 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0082 0.0037 0.0037

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM Inhibition of urokinase-type plasminogen activator ChEMBL. 21978672

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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