Detailed information for compound 1202474

Basic information

Technical information
  • TDR Targets ID: 1202474
  • Name: N-bis(2-methylsulfonylhydrazinyl)phosphoryl-4 -bromobenzamide
  • MW: 464.253 | Formula: C9H15BrN5O6PS2
  • H donors: 5 H acceptors: 6 LogP: -0.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Br)NP(=O)(NNS(=O)(=O)C)NNS(=O)(=O)C
  • InChi: 1S/C9H15BrN5O6PS2/c1-23(18,19)14-12-22(17,13-15-24(2,20)21)11-9(16)7-3-5-8(10)6-4-7/h3-6,14-15H,1-2H3,(H3,11,12,13,16,17)
  • InChiKey: OYMHAPWTYNOOOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-bis(N'-methylsulfonylhydrazino)phosphoryl-4-bromo-benzamide
  • N-bis(N'-methylsulfonylhydrazino)phosphoryl-4-bromobenzamide
  • N-bis(N'-mesylhydrazino)phosphoryl-4-bromo-benzamide
  • N-bis(2-methylsulfonylhydrazinyl)phosphoryl-4-bromo-benzamide
  • T0507-2222
  • MLS000774856
  • SMR000365481

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
Brugia malayi PHD-finger family protein 0.003 0.0159 0.0331
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.4812 0.4728
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2854 0.2738
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.4812 0.4728
Echinococcus multilocularis geminin 0.0174 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2854 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2854 0.2738
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0589 0.2065
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Brugia malayi jmjC domain containing protein 0.0036 0.0589 0.1225
Schistosoma mansoni jumonji domain containing protein 0.0078 0.3435 0.3329
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.2337 0.8188
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0589 0.0437
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.096 0.0814
Brugia malayi Bromodomain containing protein 0.003 0.0159 0.0331
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2854 0.5931
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2854 0.2738
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0589 0.0437
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2854 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0589 0.0437
Echinococcus granulosus tar DNA binding protein 0.0069 0.2854 0.2738
Echinococcus granulosus jumonji domain containing protein 0.0042 0.096 0.0814
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0589 0.0437
Giardia lamblia PHD finger protein 15 0.003 0.0159 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0159 0.0557
Plasmodium falciparum phd finger protein, putative 0.003 0.0159 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2854 0.2738
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0159 1
Brugia malayi TAR-binding protein 0.0069 0.2854 0.5931
Brugia malayi jmjC domain containing protein 0.0098 0.4812 1
Schistosoma mansoni hypothetical protein 0.0174 1 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2854 0.2738
Plasmodium vivax hypothetical protein, conserved 0.003 0.0159 1
Loa Loa (eye worm) RNA binding protein 0.0069 0.2854 1
Schistosoma mansoni hypothetical protein 0.0174 1 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0159 0.0557
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0159 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2854 0.2738
Brugia malayi RNA binding protein 0.0069 0.2854 0.5931
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.162 0.5677
Onchocerca volvulus Alhambra homolog 0.003 0.0159 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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 (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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
Potency (functional) 70.7946 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.