Detailed information for compound 1759333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 649.219 | Formula: C34H33ClN2O5S2
  • H donors: 0 H acceptors: 5 LogP: 6.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N1CC2C(=O)CC(N(C2CC1c1cccc(c1)Cl)S(=O)(=O)c1ccc(cc1)C)c1ccccc1
  • InChi: 1S/C34H33ClN2O5S2/c1-23-11-15-28(16-12-23)43(39,40)36-22-30-33(20-31(36)26-9-6-10-27(35)19-26)37(44(41,42)29-17-13-24(2)14-18-29)32(21-34(30)38)25-7-4-3-5-8-25/h3-19,30-33H,20-22H2,1-2H3
  • InChiKey: ZSYIMOATEPUROV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.0305 1
Plasmodium vivax hypothetical protein 0.0041 0.0149 0.3164
Loa Loa (eye worm) hypothetical protein 0.006 0.0287 0.0212
Loa Loa (eye worm) hypothetical protein 0.0229 0.1482 0.1417
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0305 0.0343
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0305 0.023
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0152 0.0157
Echinococcus multilocularis protoporphyrinogen oxidase 0.0063 0.0305 0.0347
Onchocerca volvulus 0.0247 0.1607 0.1481
Brugia malayi Serotonin receptor 0.0458 0.3106 0.3199
Brugia malayi Myb-like DNA-binding domain containing protein 0.0041 0.0149 0.0153
Schistosoma mansoni amine oxidase 0.0063 0.0305 0.1172
Loa Loa (eye worm) hypothetical protein 0.0041 0.0149 0.0073
Schistosoma mansoni zinc finger protein 0.0041 0.0149 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0149 0.0073
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0229 0.1482 0.2959
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0287 0.0296
Brugia malayi amine oxidase, flavin-containing family protein 0.008 0.043 0.0443
Brugia malayi SWIRM domain containing protein 0.0247 0.1607 0.1655
Brugia malayi hypothetical protein 0.003 0.0076 0.0079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0252 0.0229
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0152 0.0076
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0305 1
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.0305 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0063 0.0305 0.5
Echinococcus multilocularis 0.0063 0.0305 0.0347
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0305 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0252 0.0227
Loa Loa (eye worm) hypothetical protein 0.0041 0.0149 0.0073
Onchocerca volvulus CoRest homolog 0.1432 1 1
Schistosoma mansoni amine oxidase 0.0063 0.0305 0.1172
Brugia malayi ELM2 domain containing protein 0.0041 0.0149 0.0153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0252 0.0177
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.0305 1
Brugia malayi hypothetical protein 0.0063 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.008 0.043 0.0356
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0247 0.1607 0.1543
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0252 0.0259
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.0305 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0331 0.2203 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0229 0.1482 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0252 0.0774
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0252 0.0774
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0252 0.0229
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0305 1
Schistosoma mansoni hypothetical protein 0.0041 0.0152 0.0027
Echinococcus granulosus hypothetical protein 0.0684 0.4704 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0252 0.0227
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0331 0.2203 1
Loa Loa (eye worm) hypothetical protein 0.1391 0.9712 0.971
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.0305 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0229 0.1482 0.2927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0252 0.0774
Loa Loa (eye worm) hypothetical protein 0.0229 0.1482 0.1417
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0268 0.1759 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0063 0.0305 0.1172
Loa Loa (eye worm) GATA zinc finger family protein 0.0041 0.0149 0.0073
Chlamydia trachomatis protoporphyrinogen oxidase 0.0063 0.0305 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0677 0.4655 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0287 0.0296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0287 0.0212
Brugia malayi Myb-like DNA-binding domain containing protein 0.1391 0.9712 1
Leishmania major UDP-galactopyranose mutase 0.0063 0.0305 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0305 0.023
Brugia malayi ELM2 domain containing protein 0.0041 0.0149 0.0153

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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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