Detailed information for compound 1398062

Basic information

Technical information
  • TDR Targets ID: 1398062
  • Name: 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidin e
  • MW: 295.784 | Formula: C14H14ClNO2S
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc2c1c(ccc2)S(=O)(=O)N1CCCC1
  • InChi: 1S/C14H14ClNO2S/c15-12-7-3-5-11-6-4-8-13(14(11)12)19(17,18)16-9-1-2-10-16/h3-8H,1-2,9-10H2
  • InChiKey: SOBHBGAYEDVFJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(8-chloro-1-naphthyl)sulfonyl]pyrrolidine
  • MLS000676498
  • SMR000299053
  • 1-(8-Chloro-naphthalene-1-sulfonyl)-pyrrolidine
  • AG-205/40775917
  • ZINC00313991
  • Oprea1_872707
  • A2539/0108037

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0044 0.0163 0.0163
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.031 0.031
Brugia malayi MBOAT family protein 0.0044 0.0163 0.0111
Brugia malayi MBOAT family protein 0.0044 0.0163 0.0111
Loa Loa (eye worm) hypothetical protein 0.0446 0.3456 0.3509
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.031 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0044 0.0163 0.0163
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0029 0.0029
Brugia malayi diacylglycerol acyltransferase 0.0044 0.0163 0.0111
Treponema pallidum alginate O-acetylation protein (algI) 0.0044 0.0163 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0446 0.3456 0.3456
Entamoeba histolytica hypothetical protein 0.0044 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0163 0.0155
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.031 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.031 1
Brugia malayi MBOAT family protein 0.0044 0.0163 0.0111
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.031 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0044 0.0163 0.0163
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0044 0.0163 0.0163
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0044 0.0163 0.0163
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0044 0.0163 0.0163
Loa Loa (eye worm) MBOAT family protein 0.0044 0.0163 0.0155
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0044 0.0163 0.0155
Schistosoma mansoni sterol O-acyltransferase 1 0.0446 0.3456 0.3456
Loa Loa (eye worm) hypothetical protein 0.0049 0.0209 0.0202
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0396 0.0396
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0052 0.0228 0.0222
Echinococcus multilocularis geminin 0.0205 0.1481 0.1481
Onchocerca volvulus 0.0044 0.0163 0.5
Loa Loa (eye worm) voltage-gated potassium channel 0.1225 0.9828 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.031 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.031 0.031
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0044 0.0163 0.0163
Echinococcus granulosus o acyltransferase membrane bound domain 0.0044 0.0163 0.0163
Loa Loa (eye worm) hhat protein 0.0044 0.0163 0.0155
Brugia malayi Hhat protein 0.0044 0.0163 0.0111
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.031 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0085 0.0505 0.0504
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.031 1
Loa Loa (eye worm) hypothetical protein 0.056 0.4393 0.4464
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0044 0.0163 0.0163
Echinococcus granulosus sterol O acyltransferase 1 0.0446 0.3456 0.3456
Loa Loa (eye worm) MBOAT family protein 0.0044 0.0163 0.0155
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0044 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0044 0.0163 0.0155
Loa Loa (eye worm) MBOAT family protein 0.0044 0.0163 0.0155
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.031 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0044 0.0163 0.0163
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0044 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0205 0.1481 0.1481
Echinococcus granulosus o acyltransferase membrane bound domain 0.0044 0.0163 0.0163
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.031 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0044 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.056 0.4393 0.4464
Entamoeba histolytica hypothetical protein, conserved 0.0044 0.0163 0.5
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0044 0.0163 0.0163
Brugia malayi MAP kinase sur-1 0.0062 0.031 0.0259
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0044 0.0163 0.5
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0044 0.0163 0.0163
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0044 0.0163 0.0163
Brugia malayi Bromodomain containing protein 0.0046 0.0185 0.0133
Schistosoma mansoni zinc finger protein 0.0044 0.0163 0.0163
Entamoeba histolytica vacuolar protein sorting 26 0.0044 0.0163 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.0548 0.0498
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.031 0.031
Brugia malayi MBOAT family protein 0.0044 0.0163 0.0111
Loa Loa (eye worm) hypothetical protein 0.0046 0.0186 0.0179
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.031 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.056 0.4393 0.4393
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0029 0.0029
Brugia malayi MBOAT family protein 0.0044 0.0163 0.0111
Echinococcus granulosus geminin 0.0205 0.1481 0.1481
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0044 0.0163 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.6502 0.6502
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.031 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0044 0.0163 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.031 0.0305
Echinococcus granulosus o acyltransferase membrane bound domain 0.0044 0.0163 0.0163
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0162 0.0162
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0044 0.0163 0.0155
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.031 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0044 0.0163 0.0163
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0044 0.0163 0.0163
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.031 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0044 0.0163 0.0163
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6625 0.6625
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0396 0.0396
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.031 0.031
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0044 0.0163 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.031 0.031
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0044 0.0163 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.001 0.001
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.056 0.4393 0.4464
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0044 0.0163 0.0163
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6625 0.6625
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6625 0.6625
Loa Loa (eye worm) hypothetical protein 0.0044 0.0163 0.0155
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0044 0.0163 0.0163
Loa Loa (eye worm) hhat protein 0.0044 0.0163 0.0155
Loa Loa (eye worm) hypothetical protein 0.0402 0.3099 0.3146
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0162 0.0162
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.056 0.4393 0.4393
Schistosoma mansoni hypothetical protein 0.0205 0.1481 0.1481
Trypanosoma brucei protein kinase, putative 0.0062 0.031 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.636 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) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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