Detailed information for compound 1422999

Basic information

Technical information
  • TDR Targets ID: 1422999
  • Name: T5551357
  • MW: 290.384 | Formula: C14H18N4OS
  • H donors: 0 H acceptors: 3 LogP: 2.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCN(C1)C(=O)CSc1nnc2n1cccc2
  • InChi: 1S/C14H18N4OS/c1-11-5-4-7-17(9-11)13(19)10-20-14-16-15-12-6-2-3-8-18(12)14/h2-3,6,8,11H,4-5,7,9-10H2,1H3
  • InChiKey: AFBPEZNOMXGMQE-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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis anosmin 1 0.0089 0.442 0.8994
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0089 0.442 0.8994
Echinococcus granulosus GPCR family 2 0.0051 0.1432 0.1468
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Echinococcus multilocularis roundabout 2 0.0089 0.442 0.8994
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.6034 0.5666
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.1432 0.1468
Schistosoma mansoni titin 0.0089 0.442 0.6887
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0089 0.442 0.8994
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.482 1
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni myosin-binding protein-related 0.0089 0.442 0.6887
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.2286 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.442 0.3487
Onchocerca volvulus 0.0089 0.442 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2327 0.1045
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Schistosoma mansoni factor for adipocyte differentiation 0.0089 0.442 0.6887
Onchocerca volvulus 0.0089 0.442 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0089 0.442 0.3487
Echinococcus multilocularis Netrin receptor DCC 0.0089 0.442 0.8994
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0089 0.442 0.8994
Echinococcus multilocularis Fibronectin, type III 0.0089 0.442 0.8994
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0089 0.442 0.8994
Echinococcus multilocularis GPCR, family 2 0.0051 0.1432 0.1468
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.482 1
Echinococcus multilocularis transfer RNA-Phe 0.0089 0.442 0.8994
Onchocerca volvulus 0.0089 0.442 0.5
Onchocerca volvulus 0.0089 0.442 0.5
Schistosoma mansoni titin 0.0089 0.442 0.6887
Echinococcus multilocularis anosmin 1 0.0089 0.442 0.8994
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.2286 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.2327 0.3723
Loa Loa (eye worm) hypothetical protein 0.0094 0.482 0.3953
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0089 0.442 0.3902
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0089 0.442 0.3487
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.442 0.3487
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.1432 0.1468
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2327 0.285
Echinococcus multilocularis roundabout 2 0.0089 0.442 0.8994
Echinococcus multilocularis Netrin receptor DCC 0.0089 0.442 0.8994
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0089 0.442 0.8994
Leishmania major hypothetical protein, conserved 0.0089 0.442 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 0.5
Onchocerca volvulus 0.0089 0.442 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0089 0.442 0.8994
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0089 0.442 0.8994
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0089 0.442 0.8994
Loa Loa (eye worm) CAMK protein kinase 0.0089 0.442 0.3487
Echinococcus granulosus Fibronectin type III 0.0089 0.442 0.8994
Onchocerca volvulus 0.0089 0.442 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Schistosoma mansoni hypothetical protein 0.0051 0.1432 0.1124
Echinococcus granulosus roundabout 2 0.0089 0.442 0.8994
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.482 0.7657
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0089 0.442 0.8994
Echinococcus granulosus titin 0.0089 0.442 0.8994
Echinococcus granulosus Fibronectin type III domain containing protein 0.0089 0.442 0.8994
Brugia malayi Lethal protein 805 0.0089 0.442 0.3902
Brugia malayi Lethal protein 805 0.0089 0.442 0.3902
Echinococcus granulosus anosmin 1 0.0089 0.442 0.8994
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.442 0.5
Echinococcus granulosus Netrin receptor DCC 0.0089 0.442 0.8994
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0089 0.442 0.3487
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0089 0.442 0.8994
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0089 0.442 0.6887
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0089 0.442 0.3487
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0089 0.442 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0089 0.442 0.3487
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 0.5
Loa Loa (eye worm) myotactin form A 0.0089 0.442 0.3487
Brugia malayi Latrophilin receptor protein 2 0.0051 0.1432 0.0637
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0089 0.442 0.8994
Brugia malayi myotactin form A 0.0089 0.442 0.3902
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0089 0.442 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2327 0.285
Echinococcus granulosus roundabout 2 0.0089 0.442 0.8994
Schistosoma mansoni tripartite motif protein trim9 0.0089 0.442 0.6887
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0089 0.442 0.8994
Brugia malayi SPRY domain containing protein 0.0089 0.442 0.3902
Echinococcus granulosus neuroglian 0.0089 0.442 0.8994
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2327 0.285
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.482 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.2286 0.4744
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2327 0.1615
Onchocerca volvulus 0.0089 0.442 0.5
Schistosoma mansoni hypothetical protein 0.0089 0.442 0.6887
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0089 0.442 0.8994
Onchocerca volvulus 0.0089 0.442 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0089 0.442 0.8994
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0089 0.442 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.1432 0.1468
Echinococcus granulosus Netrin receptor DCC 0.0089 0.442 0.8994
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Loa Loa (eye worm) RNA binding protein 0.0062 0.2327 0.1045
Onchocerca volvulus 0.0089 0.442 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni hypothetical protein 0.0051 0.1432 0.1124
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Schistosoma mansoni nephrin 0.0089 0.442 0.6887
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Brugia malayi TAR-binding protein 0.0062 0.2327 0.1615
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0089 0.442 0.3487
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0089 0.442 0.8994
Schistosoma mansoni factor for adipocyte differentiation 0.0089 0.442 0.6887
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Echinococcus granulosus nephrin 0.0089 0.442 0.8994
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Entamoeba histolytica hypothetical protein 0.0043 0.0849 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.482 1
Onchocerca volvulus 0.0089 0.442 0.5
Onchocerca volvulus 0.0089 0.442 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Brugia malayi RNA binding protein 0.0062 0.2327 0.1615
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 1
Onchocerca volvulus 0.0089 0.442 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.442 0.3487
Entamoeba histolytica hypothetical protein 0.0043 0.0849 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.1432 0.1468
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2327 0.1045
Echinococcus granulosus contactin 0.0089 0.442 0.8994
Schistosoma mansoni cell adhesion molecule 0.0089 0.442 0.6887
Echinococcus granulosus roundabout 2 0.0089 0.442 0.8994
Entamoeba histolytica hypothetical protein 0.0043 0.0849 0.5
Schistosoma mansoni protein tyrosine phosphatase 0.0089 0.442 0.6887
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.2286 0.3619
Schistosoma mansoni hypothetical protein 0.0051 0.1432 0.1124
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0089 0.442 0.6887
Echinococcus granulosus anosmin 1 0.0089 0.442 0.8994
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Brugia malayi Protein-tyrosine phosphatase 0.0089 0.442 0.3902
Schistosoma mansoni titin 0.0089 0.442 0.6887
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni factor for adipocyte differentiation 0.0089 0.442 0.6887
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0089 0.442 0.8994
Schistosoma mansoni hypothetical protein 0.0089 0.442 0.6887
Onchocerca volvulus 0.0089 0.442 0.5
Schistosoma mansoni nephrin 0.0089 0.442 0.6887
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0089 0.442 0.3902
Schistosoma mansoni hypothetical protein 0.0051 0.1432 0.1124
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni cell adhesion molecule 0.0089 0.442 0.6887
Schistosoma mansoni hemicentin 0.0089 0.442 0.6887
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Echinococcus multilocularis usherin 0.0089 0.442 0.8994
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0089 0.442 0.6887
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0089 0.442 0.8994
Echinococcus multilocularis titin 0.0089 0.442 0.8994
Schistosoma mansoni hypothetical protein 0.011 0.6034 1
Loa Loa (eye worm) projectin 0.0089 0.442 0.3487
Loa Loa (eye worm) hypothetical protein 0.011 0.6034 0.5371
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Schistosoma mansoni cell adhesion molecule 0.0089 0.442 0.6887
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.2286 0.3619
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.1432 0.0637
Echinococcus granulosus cell adhesion molecule 0.0089 0.442 0.8994
Echinococcus granulosus EG95 0.0089 0.442 0.8994
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Echinococcus multilocularis titin 0.0089 0.442 0.8994
Echinococcus granulosus titin 0.0089 0.442 0.8994
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 1 1
Echinococcus multilocularis neuroglian 0.0089 0.442 0.8994
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni cell adhesion molecule 0.0089 0.442 0.6887
Echinococcus granulosus anosmin 1 0.0089 0.442 0.8994
Echinococcus multilocularis anosmin 1 0.0089 0.442 0.8994
Echinococcus granulosus usherin 0.0089 0.442 0.8994
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0089 0.442 0.8994
Echinococcus multilocularis cell adhesion molecule 0.0089 0.442 0.8994
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0089 0.442 0.6887
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Schistosoma mansoni cell adhesion molecule 0.0089 0.442 0.6887
Brugia malayi Probable ClpP-like protease 0.0094 0.482 0.4339
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Brugia malayi protein unc-22 0.0089 0.442 0.3902
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.442 0.3487
Brugia malayi hypothetical protein 0.0089 0.442 0.3902
Echinococcus granulosus G1Y162 protein 0.0089 0.442 0.8994
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2327 0.3723
Entamoeba histolytica hypothetical protein 0.0043 0.0849 0.5
Echinococcus granulosus fibronectin type III domain-containing protein 0.0089 0.442 0.8994
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0089 0.442 0.8994
Brugia malayi hypothetical protein 0.0089 0.442 0.3902
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.442 0.6887
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.482 1
Loa Loa (eye worm) lethal protein 805 0.0089 0.442 0.3487
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2327 0.285
Schistosoma mansoni ephrin receptor 0.0089 0.442 0.6887
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0089 0.442 0.8994
Onchocerca volvulus 0.0089 0.442 0.5
Schistosoma mansoni neuroglian 0.0089 0.442 0.6887
Brugia malayi Fibronectin type III domain containing protein 0.0089 0.442 0.3902
Brugia malayi myotactin form B 0.0089 0.442 0.3902
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.442 0.3487
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.482 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.442 0.3902
Schistosoma mansoni hypothetical protein 0.0089 0.442 0.6887
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2327 0.285
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.482 0.5
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0089 0.442 0.3902
Loa Loa (eye worm) UNCoordinated family member 0.0089 0.442 0.3487
Echinococcus multilocularis roundabout 2 0.0089 0.442 0.8994
Loa Loa (eye worm) hypothetical protein 0.0089 0.442 0.3487
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0089 0.442 0.6887

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5878 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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