Detailed information for compound 210785

Basic information

Technical information
  • TDR Targets ID: 210785
  • Name: [hydroxysulfamoyl(methyl)amino]methane
  • MW: 140.162 | Formula: C2H8N2O3S
  • H donors: 2 H acceptors: 3 LogP: -1.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONS(=O)(=O)N(C)C
  • InChi: 1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
  • InChiKey: GJCGJVYGHHRTHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (hydroxysulfamoyl-methylamino)methane
  • (hydroxysulfamoyl-methyl-amino)methane

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Carbonic anhydrase IV Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis carbonic anhydrase Carbonic anhydrase IV   312 aa 259 aa 30.1 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Schistosoma mansoni carbonic anhydrase-related Carbonic anhydrase IV   312 aa 264 aa 24.2 %
Echinococcus granulosus carbonic anhydrase Carbonic anhydrase IV   312 aa 304 aa 29.6 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Carbonic anhydrase IV   312 aa 253 aa 26.9 %
Schistosoma mansoni carbonic anhydrase-related Carbonic anhydrase IV   312 aa 265 aa 26.0 %
Leishmania infantum carbonic anhydrase-like protein Carbonic anhydrase IV   312 aa 277 aa 26.7 %
Onchocerca volvulus Carbonic anhydrase IV   312 aa 252 aa 23.4 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative Carbonic anhydrase IV   312 aa 264 aa 25.4 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Leishmania mexicana carbonic anhydrase-like protein Carbonic anhydrase IV   312 aa 287 aa 26.8 %
Loa Loa (eye worm) hypothetical protein Carbonic anhydrase IV   312 aa 268 aa 25.4 %
Brugia malayi Carbonic anhydrase like protein 2 precursor Carbonic anhydrase IV   312 aa 268 aa 24.6 %
Leishmania braziliensis carbonic anhydrase-like protein Carbonic anhydrase IV   312 aa 277 aa 25.6 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Carbonic anhydrase IV   312 aa 322 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus serotonin transporter 0.0239 0.4748 1
Echinococcus granulosus nmda type glutamate receptor 0.0055 0.0079 0.0167
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0214 0.4124 0.4124
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0394 0.8687 0.8687
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0234 0.4613 0.4613
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0239 0.4748 0.4748
Echinococcus granulosus carbonic anhydrase 0.0101 0.1241 0.2614
Treponema pallidum sodium- and chloride- dependent transporter 0.0239 0.4748 0.5
Onchocerca volvulus 0.0092 0.1022 0.1022
Echinococcus granulosus glycine receptor subunit beta 0.0092 0.1022 0.2153
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0446 1 1
Brugia malayi Dopamine receptor protein 1 0.0426 0.9489 0.9489
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0446 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0101 0.1241 0.1241
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0426 0.9489 0.9489
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0092 0.1022 0.2153
Loa Loa (eye worm) serotonin transporter b 0.0239 0.4748 0.4748
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0234 0.4613 0.4613
Onchocerca volvulus 0.0446 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0214 0.4124 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.1241 0.1241
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0092 0.1022 0.2153
Echinococcus multilocularis nmda type glutamate receptor 0.0055 0.0079 0.0167
Echinococcus multilocularis carbonic anhydrase 0.0101 0.1241 0.2614
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0092 0.1022 0.1022
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0234 0.4613 0.9717
Loa Loa (eye worm) hypothetical protein 0.0239 0.4748 0.4748
Loa Loa (eye worm) hypothetical protein 0.0234 0.4613 0.4613
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0092 0.1022 0.1022
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0446 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0214 0.4124 0.4124
Loa Loa (eye worm) LGC-31 protein 0.0092 0.1022 0.1022
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0234 0.4613 0.9717
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Echinococcus multilocularis carbonic anhydrase II 0.0214 0.4124 0.8686
Brugia malayi excitatory GABA receptor EXP-1A 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0101 0.1241 0.1241
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0092 0.1022 0.1022
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0055 0.0079 0.0167
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Echinococcus granulosus nAChR subunit 0.0092 0.1022 0.2153
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0234 0.4613 0.9717
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) ACC-1 protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0446 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0197 0.5
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0092 0.1022 0.1022
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0092 0.1022 0.2153
Schistosoma mansoni carbonic anhydrase 0.0101 0.1241 0.1241
Plasmodium falciparum carbonic anhydrase 0.0101 0.1241 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.1241 0.1241
Echinococcus multilocularis carbonic anhydrase 0.0101 0.1241 0.2614
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.1241 0.1241
Loa Loa (eye worm) hypothetical protein 0.0239 0.4748 0.4748
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.1241 0.1241
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0214 0.4124 0.4124
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0197 0.0197
Loa Loa (eye worm) solute carrier family 6 member 4 0.0239 0.4748 0.4748
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0214 0.4124 0.4124
Schistosoma mansoni hypothetical protein 0.0101 0.1241 0.1241
Onchocerca volvulus 0.0446 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0197 0.5
Toxoplasma gondii hypothetical protein 0.0101 0.1241 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0214 0.4124 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0239 0.4748 0.4748
Loa Loa (eye worm) ACC-1 protein 0.0092 0.1022 0.1022
Onchocerca volvulus 0.0239 0.4748 0.4748
Echinococcus granulosus carbonic anhydrase II 0.0214 0.4124 0.8686
Brugia malayi Cation transporter family protein 0.0092 0.1022 0.1022
Leishmania major carbonic anhydrase-like protein 0.0214 0.4124 1
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0092 0.1022 0.2153
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.1022 0.1022
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0197 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.1022 0.1022
Echinococcus multilocularis glycine receptor subunit beta 0.0092 0.1022 0.2153
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0239 0.4748 0.4748
Onchocerca volvulus 0.0446 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0092 0.1022 0.2153
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0101 0.1241 0.1241
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0092 0.1022 0.1022
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0197 0.0414
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0234 0.4613 0.9717
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) carbonic anhydrase 3 0.0214 0.4124 0.4124
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.1241 0.1241
Echinococcus multilocularis carbonic anhydrase 0.0101 0.1241 0.2614
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0101 0.1241 0.1241
Brugia malayi Cation transporter family protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) norepinephrine transporter 0.0239 0.4748 0.4748
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Echinococcus granulosus carbonic anhydrase 0.0101 0.1241 0.2614
Onchocerca volvulus 0.0092 0.1022 0.1022
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0234 0.4613 0.9717
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Onchocerca volvulus Putative nachr subunit 0.0234 0.4613 0.4613
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.1241 0.1241
Echinococcus granulosus glycine receptor subunit beta 0.0092 0.1022 0.2153
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0092 0.1022 0.1022
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0092 0.1022 0.1022
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0092 0.1022 0.2153
Echinococcus granulosus carbonic anhydrase 0.0101 0.1241 0.2614
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0234 0.4613 0.9717
Schistosoma mansoni nAChR subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0239 0.4748 0.4748
Onchocerca volvulus 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0287 0.5973 0.5973
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0092 0.1022 0.2153
Echinococcus multilocularis nAChR subunit 0.0092 0.1022 0.2153
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.1022 0.1022
Echinococcus multilocularis glycine receptor subunit beta 0.0092 0.1022 0.2153
Loa Loa (eye worm) hypothetical protein 0.0287 0.5973 0.5973
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Loa Loa (eye worm) hypothetical protein 0.0101 0.1241 0.1241
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0287 0.5973 0.5973
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0092 0.1022 0.2153
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0214 0.4124 0.4124
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.1022 0.1022
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.1022 0.2153
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0092 0.1022 0.1022
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.1022 0.1022
Brugia malayi NNMT/PNMT/TEMT family protein 0.0287 0.5973 0.5973
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0197 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0092 0.1022 0.2153
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0197 0.0414
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0214 0.4124 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0101 0.1241 0.1241
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Echinococcus multilocularis serotonin transporter 0.0239 0.4748 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1022 0.1022
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0092 0.1022 0.1022

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.04 uM Inhibitory activity against human isoenzyme Carbonic anhydrase II ChEMBL. 11020282
Ki (binding) = 0.04 uM Inhibitory activity against human isoenzyme Carbonic anhydrase II ChEMBL. 11020282
Ki (binding) = 0.29 uM Inhibitory activity against bCA -IV ChEMBL. 11020282
Ki (binding) = 0.29 uM Inhibitory activity against bCA -IV ChEMBL. 11020282
Ki (binding) = 12 uM Inhibitory activity against human isoenzyme Carbonic anhydrase I ChEMBL. 11020282
Ki (binding) = 12 uM Inhibitory activity against human isoenzyme Carbonic anhydrase I ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against matrix metalloproteinase-1 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-2 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-8 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-9 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Clostridium histolyticum collagenase (ChC) was determined ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against matrix metalloproteinase-1 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-2 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-8 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Matrix metalloproteinase-9 ChEMBL. 11020282
Ki (binding) > 100 uM Inhibitory activity against Clostridium histolyticum collagenase (ChC) was determined ChEMBL. 11020282

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

1 literature reference was collected for this gene.

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