Detailed information for compound 1314756

Basic information

Technical information
  • TDR Targets ID: 1314756
  • Name: 3-amino-N-(2-chlorophenyl)-4-morpholin-4-ylbe nzenesulfonamide
  • MW: 367.85 | Formula: C16H18ClN3O3S
  • H donors: 2 H acceptors: 2 LogP: 2.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc(ccc1N1CCOCC1)S(=O)(=O)Nc1ccccc1Cl
  • InChi: 1S/C16H18ClN3O3S/c17-13-3-1-2-4-15(13)19-24(21,22)12-5-6-16(14(18)11-12)20-7-9-23-10-8-20/h1-6,11,19H,7-10,18H2
  • InChiKey: LKWCJCYQYFZSQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-N-(2-chlorophenyl)-4-morpholino-benzenesulfonamide
  • 3-amino-N-(2-chlorophenyl)-4-morpholinobenzenesulfonamide
  • 3-amino-N-(2-chlorophenyl)-4-morpholin-4-yl-benzenesulfonamide
  • ZINC03885395
  • MLS000774811
  • SMR000365499

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0178 0.4198 0.9703
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0178 0.4198 0.9674
Schistosoma mansoni caspase-7 (C14 family) 0.0182 0.4327 0.4166
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Brugia malayi nuclear receptor RXR 0.0084 0.1408 0.3255
Echinococcus granulosus Nuclear hormone receptor HR96 0.0084 0.1408 0.259
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0178 0.4198 0.9703
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0084 0.1408 0.259
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0055 0.0543 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0178 0.4198 0.9674
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0178 0.4198 0.4033
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0055 0.0543 0.0392
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0084 0.1408 0.259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0178 0.4198 0.9695
Brugia malayi nuclear receptor NHR-88 0.0178 0.4198 0.9703
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0178 0.4198 0.9695
Brugia malayi hypothetical protein 0.0084 0.1408 0.3255
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0084 0.1408 0.259
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0084 0.1408 0.259
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Brugia malayi tailless protein 0.0084 0.1408 0.3255
Brugia malayi nuclear hormone receptor family member nhr-6 0.0084 0.1408 0.3255
Trypanosoma brucei metacaspase MCA3 0.0055 0.0543 0.5
Loa Loa (eye worm) nuclear receptor NHR-67 0.0084 0.1408 0.3076
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Schistosoma mansoni coup transcription factor 0.0178 0.4198 0.4033
Brugia malayi Nuclear hormone receptor E75 0.0084 0.1408 0.3255
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0055 0.0543 0.5
Brugia malayi hypothetical protein 0.0094 0.1707 0.3946
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0178 0.4198 0.4033
Schistosoma mansoni caspase-7 (C14 family) 0.0055 0.0543 0.0274
Loa Loa (eye worm) hypothetical protein 0.0094 0.1707 0.3784
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0178 0.4198 0.9703
Trypanosoma brucei Metacaspase-4 0.0055 0.0543 0.5
Trypanosoma cruzi metacaspase, putative 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Schistosoma mansoni caspase-3 (C14 family) 0.0055 0.0543 0.0274
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Echinococcus multilocularis caspase 2 0.0182 0.4327 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0178 0.4198 0.9703
Echinococcus multilocularis FTZ F1 alpha 0.0178 0.4198 0.9674
Brugia malayi nuclear receptor RXR 0.0094 0.1707 0.3946
Brugia malayi Nuclear hormone receptor E75 0.0084 0.1408 0.3255
Echinococcus granulosus caspase 8 0.0055 0.0543 0.0392
Echinococcus multilocularis caspase 0.0055 0.0543 0.0392
Trypanosoma brucei metacaspase 0.0055 0.0543 0.5
Echinococcus granulosus caspase 0.0055 0.0543 0.0392
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Loa Loa (eye worm) hypothetical protein 0.0055 0.0543 0.1021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0178 0.4198 0.9695
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0178 0.4198 0.4033
Brugia malayi ecdysone receptor 0.0084 0.1408 0.3255
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0084 0.1408 0.1165
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Echinococcus granulosus Nuclear hormone receptor HR96 0.0084 0.1408 0.259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0178 0.4198 0.9703
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0084 0.1408 0.3076
Echinococcus granulosus apoptotic protease activating factor 1 0.0127 0.2702 0.5873
Brugia malayi hypothetical protein 0.0127 0.2702 0.6244
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0178 0.4198 0.9703
Brugia malayi MH2 domain containing protein 0.0136 0.2977 0.6882
Schistosoma mansoni nuclear hormone receptor 0.0178 0.4198 0.4033
Schistosoma mansoni RAR-like nuclear receptor 0.0178 0.4198 0.4033
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Trypanosoma brucei metacaspase 5, putative 0.0055 0.0543 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0084 0.1408 0.3076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0178 0.4198 0.9695
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0178 0.4198 0.9674
Echinococcus granulosus caspase 2 0.0182 0.4327 1
Brugia malayi steroid hormone receptor 0.0178 0.4198 0.9703
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0084 0.1408 0.3255
Schistosoma mansoni steroid hormone receptor ad4bp 0.0178 0.4198 0.4033
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Leishmania major metacaspase, putative 0.0055 0.0543 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0084 0.1408 0.259
Plasmodium falciparum metacaspase 1 0.0055 0.0543 0.5
Plasmodium vivax hypothetical protein, conserved 0.0055 0.0543 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0094 0.1707 0.3349
Brugia malayi orphan nuclear receptor NR2E1 0.0084 0.1408 0.3255
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0094 0.1707 0.1472
Schistosoma mansoni nuclear receptor nhr-48 0.0084 0.1408 0.1165
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.4327 1
Brugia malayi nuclear hormone receptor 0.0178 0.4198 0.9703
Loa Loa (eye worm) hypothetical protein 0.0127 0.2702 0.6144
Echinococcus multilocularis thyroid hormone receptor alpha 0.0178 0.4198 0.9674
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0112 0.026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0178 0.4198 0.9674
Brugia malayi Nuclear hormone receptor-like 1 0.0178 0.4198 0.9703
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0084 0.1408 0.259
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0178 0.4198 0.9703
Echinococcus multilocularis caspase 8 0.0055 0.0543 0.0392
Loa Loa (eye worm) DR-78 0.0084 0.1408 0.3076
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0178 0.4198 0.9674
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0178 0.4198 0.4033
Echinococcus granulosus ecdysone induced protein 78C 0.0178 0.4198 0.9674
Trypanosoma cruzi metacaspase 5, putative 0.0055 0.0543 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0178 0.4198 0.4033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0178 0.4198 0.9674
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0178 0.4198 0.9674
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Onchocerca volvulus 0.0127 0.2702 0.4431
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Loa Loa (eye worm) hypothetical protein 0.0094 0.1707 0.3784
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0178 0.4198 0.9674
Schistosoma mansoni zinc finger protein 0.0084 0.1408 0.1165
Loa Loa (eye worm) steroid hormone receptor 0.0178 0.4198 0.9695
Brugia malayi conserved hypotetical protein 0.0084 0.1408 0.3255
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.2977 0.6798
Onchocerca volvulus Bile acid receptor homolog 0.0178 0.4198 0.956
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0055 0.0543 0.0274
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0094 0.1707 0.3784
Brugia malayi hypothetical protein 0.0084 0.1408 0.3255
Trypanosoma cruzi metacaspase, putative 0.0055 0.0543 0.5
Schistosoma mansoni nuclear hormone receptor 0.0084 0.1408 0.1165
Schistosoma mansoni nuclear hormone receptor 0.0084 0.1408 0.1165
Loa Loa (eye worm) hypothetical protein 0.0094 0.1707 0.3784
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0178 0.4198 0.956
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0055 0.0543 0.5
Brugia malayi nuclear hormone receptor 0.0084 0.1408 0.3255
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0055 0.0543 0.1254
Schistosoma mansoni nuclear receptor 0.0084 0.1408 0.1165
Plasmodium vivax metacaspase 1, putative 0.0055 0.0543 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0178 0.4198 0.9674
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0178 0.4198 0.9703
Brugia malayi Nuclear hormone receptor-like 1 0.0094 0.1707 0.3946
Schistosoma mansoni thyroid hormone receptor 0.0178 0.4198 0.4033
Trypanosoma cruzi metacaspase 5, putative 0.0055 0.0543 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0084 0.1408 0.259
Brugia malayi nuclear receptor NHR-88 0.0084 0.1408 0.3255
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Onchocerca volvulus Cell death protein 3 homolog 0.0182 0.4327 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0178 0.4198 0.9674
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0094 0.1707 0.3349
Brugia malayi hypothetical protein 0.0094 0.1707 0.3946
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0178 0.4198 0.9703
Onchocerca volvulus Protein ultraspiracle homolog 0.0178 0.4198 0.956
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Schistosoma mansoni hypothetical protein 0.0127 0.2702 0.2494
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0094 0.1707 0.1472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0178 0.4198 0.9695
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0178 0.4198 0.9703
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0055 0.0543 0.0392
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0178 0.4198 0.9674
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0178 0.4198 0.9674
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0178 0.4198 0.9703
Echinococcus granulosus FTZ F1 alpha 0.0178 0.4198 0.9674
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0178 0.4198 0.9703
Echinococcus granulosus nuclear receptor nhr 48 0.0084 0.1408 0.259
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0178 0.4198 0.9703
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0655
Trypanosoma cruzi metacaspase, putative 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Echinococcus multilocularis apoptotic protease activating factor 1 0.0127 0.2702 0.5873
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0178 0.4198 0.4033
Brugia malayi nuclear hormone receptor family member odr-7 0.0084 0.1408 0.3255
Brugia malayi nuclear receptor NHR-67 0.0084 0.1408 0.3255
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0178 0.4198 0.9703
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0178 0.4198 0.9674
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0084 0.1408 0.259
Schistosoma mansoni retinoic acid receptor RXR 0.0178 0.4198 0.4033
Schistosoma mansoni thyroid hormone receptor 0.0178 0.4198 0.4033
Trypanosoma brucei metacaspase MCA2 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.1707 0.3784
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.2977 0.6798
Plasmodium falciparum metacaspase-like protein 0.0055 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Brugia malayi Nuclear hormone receptor-like 1 0.0094 0.1707 0.3946
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0055 0.0543 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0178 0.4198 0.9695
Loa Loa (eye worm) hypothetical protein 0.0084 0.1408 0.3076
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Echinococcus granulosus thyroid hormone receptor alpha 0.0084 0.1408 0.259
Loa Loa (eye worm) hypothetical protein 0.0178 0.4198 0.9695
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0084 0.1408 0.1165
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0543 0.5
Schistosoma mansoni nuclear receptor 0.0084 0.1408 0.1165
Loa Loa (eye worm) hypothetical protein 0.0094 0.1707 0.3784
Brugia malayi ecdysteroid receptor 0.0178 0.4198 0.9703
Trypanosoma cruzi metacaspase, putative 0.0055 0.0543 0.5
Onchocerca volvulus 0.0178 0.4198 0.956
Brugia malayi Cell death protein 3 precursor 0.0182 0.4327 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0178 0.4198 0.9695
Brugia malayi Steroid receptor seven-up type 2 0.0178 0.4198 0.9703
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0178 0.4198 0.9674

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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

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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