Detailed information for compound 1300473

Basic information

Technical information
  • TDR Targets ID: 1300473
  • Name: T5591300
  • MW: 377.888 | Formula: C18H20ClN3O2S
  • H donors: 0 H acceptors: 3 LogP: 2.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)S(=O)(=O)N1CCN(CC1c1ccccc1)C.Cl
  • InChi: 1S/C18H19N3O2S.ClH/c1-20-10-11-21(18(14-20)16-7-3-2-4-8-16)24(22,23)17-9-5-6-15(12-17)13-19;/h2-9,12,18H,10-11,14H2,1H3;1H
  • InChiKey: PESWVQOPVOLRCX-UHFFFAOYSA-N  

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 APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768

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 lysine specific demethylase 5A 0.0036 0.0216 0.0216
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0304 0.0304
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.006 0.0608 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0414 0.0478
Loa Loa (eye worm) kinesin-like protein KLP2 0.0083 0.0978 0.4543
Brugia malayi ImpB/MucB/SamB family protein 0.006 0.0608 0.2822
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Echinococcus multilocularis dna polymerase eta 0.0087 0.1043 0.1043
Echinococcus granulosus GPCR family 2 0.0049 0.0429 0.0429
Leishmania major DNA polymerase eta, putative 0.0087 0.1043 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.1682 0.0267
Loa Loa (eye worm) glutathione reductase 0.005 0.044 0.2043
Entamoeba histolytica deoxycytidyl transferase, putative 0.006 0.0608 0.6212
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.044 0.044
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.006 0.0608 0.0702
Mycobacterium tuberculosis Probable reductase 0.0114 0.1476 0.1606
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0414 0.0414
Plasmodium vivax glutathione reductase, putative 0.005 0.044 0.0479
Mycobacterium ulcerans DNA polymerase IV 0.006 0.0608 0.0661
Toxoplasma gondii kinesin motor domain-containing protein 0.0083 0.0978 1
Plasmodium vivax kinesin-5 0.0083 0.0978 0.1065
Plasmodium falciparum kinesin-5 0.0083 0.0978 0.1065
Brugia malayi Thioredoxin reductase 0.005 0.044 0.2043
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.0608 0.5825
Plasmodium vivax thioredoxin reductase, putative 0.005 0.044 0.0479
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0305 0.292
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Echinococcus multilocularis GPCR, family 2 0.0049 0.0429 0.0429
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.037 0.3546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0414 0.0478
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Trypanosoma cruzi DNA polymerase eta, putative 0.0087 0.1043 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0429 0.0429
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0608 0.5825
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0046 0.037 0.3782
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1214 0.1214
Echinococcus granulosus dna polymerase eta 0.0087 0.1043 0.1043
Brugia malayi Kinesin motor domain containing protein 0.0083 0.0978 0.4543
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1214 0.1214
Loa Loa (eye worm) thioredoxin reductase 0.005 0.044 0.2043
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0429 0.0429
Giardia lamblia DINP protein human, muc B family 0.006 0.0608 0.6212
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0414 0.0414
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.1476 0.1606
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Leishmania major trypanothione reductase 0.005 0.044 0.4217
Loa Loa (eye worm) hypothetical protein 0.003 0.0114 0.0532
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0114 0.0114
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0305 0.292
Trypanosoma brucei unspecified product 0.006 0.0608 0.5825
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0629 0.292
Plasmodium falciparum thioredoxin reductase 0.005 0.044 0.0479
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0114 0.0532
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.1476 0.1606
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0429 0.0429
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0414 0.0414
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.044 0.0479
Brugia malayi jmjC domain containing protein 0.0097 0.1214 0.5636
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0888 0.1027
Echinococcus granulosus peregrin 0.003 0.0114 0.0114
Schistosoma mansoni kinesin eg-5 0.0083 0.0978 0.1131
Trypanosoma brucei unspecified product 0.0041 0.0305 0.292
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0589 0.9189 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0114 0.0132
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0216 0.025
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0589 0.9189 1
Treponema pallidum hypothetical protein 0.0589 0.9189 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1355 0.6294
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Brugia malayi glutathione reductase 0.005 0.044 0.2043
Echinococcus multilocularis kinesin family 1 0.0639 1 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0114 0.0125
Leishmania major DNA polymerase eta, putative 0.0046 0.037 0.3546
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.1682 0.183
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.0608 0.5825
Schistosoma mansoni hypothetical protein 0.0049 0.0429 0.0496
Echinococcus multilocularis dna polymerase kappa 0.006 0.0608 0.0608
Trypanosoma brucei trypanothione reductase 0.005 0.044 0.4217
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Loa Loa (eye worm) hypothetical protein 0.0051 0.046 0.2134
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.044 0.4217
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0114 0.117
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.2153 1
Schistosoma mansoni hypothetical protein 0.003 0.0114 0.0132
Trypanosoma brucei DNA polymerase eta, putative 0.0087 0.1043 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1043 0.4845
Brugia malayi Bromodomain containing protein 0.003 0.0114 0.0532
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.006 0.0608 0.2822
Trypanosoma brucei unspecified product 0.0041 0.0305 0.292
Schistosoma mansoni hypothetical protein 0.0106 0.1355 0.1566
Onchocerca volvulus Alhambra homolog 0.003 0.0114 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.1682 0.183
Loa Loa (eye worm) hypothetical protein 0.0049 0.0429 0.1994
Mycobacterium ulcerans DNA polymerase IV 0.006 0.0608 0.0661
Entamoeba histolytica kinesin, putative 0.0083 0.0978 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0304 0.0304
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0414 0.0478
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1355 0.6294
Toxoplasma gondii thioredoxin reductase 0.005 0.044 0.4497
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.2153 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0305 0.292
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.006 0.0608 0.5825
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.006 0.0608 0.0661
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0414 0.192
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.1682 0.183
Brugia malayi jmjC domain containing protein 0.0036 0.0216 0.1004
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0114 0.117
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0429 0.1994
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0429 0.1994
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0608 0.5825
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.1476 0.1606
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.2153 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.044 0.044
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0414 0.192
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.006 0.0608 0.0608
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.0049 0.0429 0.0496
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0589 0.9189 1
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.0608 0.5825
Plasmodium falciparum glutathione reductase 0.005 0.044 0.0479
Brugia malayi ImpB/MucB/SamB family protein 0.0087 0.1043 0.4845
Giardia lamblia PHD finger protein 15 0.003 0.0114 0.117
Mycobacterium tuberculosis Conserved hypothetical protein 0.006 0.0608 0.0661
Leishmania major DNA polymerase kappa, putative 0.006 0.0608 0.5825
Schistosoma mansoni terminal deoxycytidyl transferase 0.006 0.0608 0.0702
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0608 0.5825
Giardia lamblia Kinesin-5 0.0083 0.0978 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0216 0.1004
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.1476 0.1606
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0429 0.1994
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0608 0.5825
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0429 0.0429
Brugia malayi PHD-finger family protein 0.003 0.0114 0.0532
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0608 0.5825
Schistosoma mansoni hypothetical protein 0.0049 0.0429 0.0496
Loa Loa (eye worm) hypothetical protein 0.0155 0.2153 1
Trichomonas vaginalis DNA polymerase eta, putative 0.006 0.0608 1
Schistosoma mansoni hypothetical protein 0.0049 0.0429 0.0496
Schistosoma mansoni hypothetical protein 0.0556 0.8653 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0216 0.025
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0589 0.9189 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0589 0.9189 1
Echinococcus multilocularis peregrin 0.003 0.0114 0.0114
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0216 0.0216
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.006 0.0608 0.0608
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.1476 0.1606
Schistosoma mansoni DNA polymerase eta 0.0087 0.1043 0.1206
Echinococcus granulosus dna polymerase kappa 0.006 0.0608 0.0608
Plasmodium falciparum phd finger protein, putative 0.003 0.0114 0.0125
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0414 0.0414

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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