Detailed information for compound 1528905

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.883 | Formula: C19H20ClNO6S
  • H donors: 0 H acceptors: 3 LogP: 2.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCOCC1)CC(=O)Oc1ccccc1Cl
  • InChi: 1S/C19H20ClNO6S/c1-25-17-7-6-14(13-19(22)27-16-5-3-2-4-15(16)20)12-18(17)28(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3
  • InChiKey: QFWQFMHWGYWJOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0024 0.0758 0.1456
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0024 0.0758 0.1456
Brugia malayi brahma associated protein 60 kDa 0.0068 0.3638 0.6988
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0024 0.0758 0.1456
Brugia malayi YY1-associated factor 2 0.0024 0.0758 0.1456
Plasmodium falciparum glutathione reductase 0.0037 0.1569 0.4313
Echinococcus multilocularis geminin 0.0165 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0068 0.3638 1
Echinococcus multilocularis dna polymerase eta 0.0076 0.4154 0.4154
Schistosoma mansoni terminal deoxycytidyl transferase 0.0051 0.2537 0.2537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2092 0.2092
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0024 0.0758 0.1456
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0024 0.0758 0.1456
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0024 0.0758 0.1456
Trypanosoma cruzi WLM domain containing protein, putative 0.0024 0.0758 0.1456
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.5206 1
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0213 0.041
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.4225 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.4645 0.8837
Leishmania major DNA polymerase eta, putative 0.0041 0.1831 0.3516
Brugia malayi Thioredoxin reductase 0.0037 0.1569 0.3014
Echinococcus multilocularis zinc finger protein Ran binding 0.0024 0.0758 0.0758
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1569 0.3014
Leishmania major DNA polymerase eta, putative 0.0076 0.4154 0.7979
Toxoplasma gondii thioredoxin reductase 0.0037 0.1569 0.4313
Schistosoma mansoni hypothetical protein 0.0068 0.3638 0.3638
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0068 0.3638 0.3638
Trypanosoma brucei DNA polymerase IV, putative 0.0071 0.3806 0.7311
Echinococcus granulosus SWI:SNF matrix associated 0.0068 0.3638 0.3638
Giardia lamblia Kinase, PLK 0.0092 0.5206 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0077 0.4225 0.8115
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Brugia malayi glutathione reductase 0.0037 0.1569 0.3014
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0024 0.0758 0.1456
Giardia lamblia DNA damage repair protein 0.0016 0.0213 0.041
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.5206 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.5257 1
Echinococcus granulosus dna polymerase kappa 0.0077 0.4225 0.4225
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2092 0.2092
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.4645 0.8837
Trypanosoma brucei chrX additional, unordered contigs 0.0016 0.0213 0.041
Leishmania major hypothetical protein, conserved 0.0024 0.0758 0.1456
Schistosoma mansoni zinc finger protein 0.0024 0.0758 0.0758
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0213 0.041
Toxoplasma gondii ran binding protein 0.0024 0.0758 0.2084
Giardia lamblia DINP protein human, muc B family 0.0058 0.2956 0.5677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2092 0.2092
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0051 0.2537 0.2537
Leishmania major DNA damage repair protein, putative 0.0016 0.0213 0.041
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0024 0.0758 0.2084
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.5257 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0068 0.3638 0.3638
Brugia malayi brahma associated protein 60 kDa 0.0068 0.3638 0.6988
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0076 0.4154 0.7979
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Echinococcus multilocularis ring and YY1 binding protein 0.0024 0.0758 0.0758
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0213 0.041
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0068 0.3638 0.6474
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0213 0.041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2092 0.2092
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0024 0.0758 0.1456
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.4645 0.8837
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.5206 0.5206
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0758 0.1456
Schistosoma mansoni DNA polymerase IV / kappa 0.0016 0.0213 0.0213
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.1601 0.1601
Brugia malayi polk-prov protein 0.0042 0.1901 0.3652
Schistosoma mansoni hypothetical protein 0.0165 1 1
Trypanosoma brucei unspecified product 0.0035 0.1491 0.2864
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2092 0.4018
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0213 0.041
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2092 0.2092
Loa Loa (eye worm) glutathione reductase 0.0037 0.1569 0.1824
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.191 0.3669
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0213 0.041
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.5206 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2092 0.2999
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.191 0.3669
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0022 0.0632 0.1738
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0024 0.0758 0.0758
Mycobacterium tuberculosis Probable reductase 0.0084 0.4645 0.8837
Leishmania major trypanothione reductase 0.0037 0.1569 0.3014
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0068 0.3638 1
Schistosoma mansoni brg-1 associated factor 0.0068 0.3638 0.3638
Loa Loa (eye worm) hypothetical protein 0.0076 0.4154 0.7634
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1569 0.2985
Trypanosoma brucei trypanothione reductase 0.0037 0.1569 0.3014
Plasmodium vivax glutathione reductase, putative 0.0037 0.1569 0.4313
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0213 0.041
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1901 0.3652
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0024 0.0758 0.1456
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2092 0.2092
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1901 0.3652
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0024 0.0758 0.2084
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.2537 0.4873
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.4645 0.8837
Plasmodium falciparum DNA repair protein REV1, putative 0.0016 0.0213 0.0587
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0068 0.3638 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0068 0.3638 0.3638
Mycobacterium ulcerans hypothetical protein 0.0016 0.0213 0.0505
Trypanosoma brucei polo-like protein kinase 0.0092 0.5206 1
Loa Loa (eye worm) brahma associated protein 0.0068 0.3638 0.6474
Brugia malayi ImpB/MucB/SamB family protein 0.0076 0.4154 0.7979
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0068 0.3638 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.1601 0.1601
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.5206 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Schistosoma mansoni RNA binding protein 0.0024 0.0758 0.0758
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.1831 0.3516
Schistosoma mansoni hypothetical protein 0.0068 0.3638 0.3638
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.5206 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2092 0.2092
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Loa Loa (eye worm) hypothetical protein 0.0042 0.1901 0.2571
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0758 0.1456
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0024 0.0758 0.0758
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.2956 0.5677
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0068 0.3638 0.3638
Echinococcus granulosus ring and YY1 binding protein 0.0024 0.0758 0.0758
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.5206 0.5206
Plasmodium vivax DNA repair protein REV1, putative 0.0016 0.0213 0.0587
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0051 0.2537 0.3999
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.5206 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1569 0.4313
Onchocerca volvulus 0.0068 0.3638 0.6474
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0024 0.0758 0.0758
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.4225 1
Leishmania major hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0213 0.041
Leishmania major hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.2956 0.5677
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.4225 0.8115
Schistosoma mansoni fusion 0.0024 0.0758 0.0758
Schistosoma mansoni hypothetical protein 0.0165 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0076 0.4154 0.7979
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.5257 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.5206 1
Echinococcus granulosus dna polymerase eta 0.0076 0.4154 0.4154
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Treponema pallidum NADH oxidase 0.0013 0 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0024 0.0758 0.0758
Schistosoma mansoni DNA polymerase eta 0.0076 0.4154 0.4154
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0024 0.0758 0.1456
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0068 0.3638 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.2157 0.4143
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0051 0.2537 0.2537
Trichomonas vaginalis DNA polymerase eta, putative 0.0077 0.4225 0.8115
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1569 0.1824
Leishmania major hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.3638 0.6988
Trypanosoma brucei unspecified product 0.0071 0.3806 0.7311
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0024 0.0758 0.1456
Brugia malayi SWIB/MDM2 domain containing protein 0.0068 0.3638 0.6988
Schistosoma mansoni hypothetical protein 0.0024 0.0758 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.191 0.3669
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0758 0.1456
Trypanosoma brucei unspecified product 0.0035 0.1491 0.2864
Schistosoma mansoni kinase 0.0047 0.2237 0.2237
Echinococcus multilocularis SWI:SNF matrix associated 0.0068 0.3638 0.3638
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.1831 0.5032
Trypanosoma cruzi WLM domain containing protein, putative 0.0024 0.0758 0.1456
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.2157 0.4143
Leishmania major DNA polymerase kappa, putative 0.0016 0.0213 0.041
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0024 0.0758 0.0758
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0016 0.0213 0.0587
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.4225 0.8115
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.5206 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.2956 0.5623
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.4645 0.8837
Plasmodium falciparum thioredoxin reductase 0.0037 0.1569 0.4313
Leishmania major hypothetical protein, conserved 0.0024 0.0758 0.1456
Echinococcus granulosus zinc finger protein Ran binding 0.0024 0.0758 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.5257 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.5206 0.5206
Leishmania major DNA polymerase kappa, putative 0.0058 0.2956 0.5677
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0051 0.2537 0.2537
Schistosoma mansoni hypothetical protein 0.0068 0.3638 0.3638
Echinococcus multilocularis dna polymerase kappa 0.0077 0.4225 0.4225
Chlamydia trachomatis DNA topoisomerase I 0.0068 0.3638 1
Chlamydia trachomatis SWIB complex protein 0.0068 0.3638 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.2537 0.4826
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.4225 0.8115
Plasmodium vivax hypothetical protein, conserved 0.0068 0.3638 1

Activities

Activity type Activity value Assay description Source 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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