Detailed information for compound 991551

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 544.686 | Formula: C26H32N4O5S2
  • H donors: 0 H acceptors: 4 LogP: 3.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2c(s1)cc1c(c2)OCCO1)C
  • InChi: 1S/C26H32N4O5S2/c1-28(2)13-14-30(26-27-21-17-22-23(18-24(21)36-26)35-16-15-34-22)25(31)19-7-9-20(10-8-19)37(32,33)29-11-5-3-4-6-12-29/h7-10,17-18H,3-6,11-16H2,1-2H3
  • InChiKey: IFXAXXRUJHXFAQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0392 0.0649
Echinococcus granulosus death domain containing protein 0.0028 0.0252 0.067
Chlamydia trachomatis transcriptional repressor NrdR 0.0031 0.0309 0.0821
Echinococcus granulosus Ankyrin 0.0028 0.0252 0.067
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0198 0.3761 1
Schistosoma mansoni hypothetical protein 0.0158 0.2936 0.3282
Leishmania major hypothetical protein, conserved 0.0035 0.0392 0.0649
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0198 0.3761 1
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0167 0.3119 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0252 0.0181
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.16 0.4254
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0158 0.2936 0.7807
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0198 0.3761 0.4204
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0198 0.3761 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0198 0.3761 1
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0043 0.056 0.1488
Entamoeba histolytica DNA repair protein RAD51, putative 0.0024 0.0158 0.5
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0028 0.0252 0.0282
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0499 1 1
Schistosoma mansoni netrin receptor unc5 0.0028 0.0252 0.0282
Echinococcus multilocularis GPCR, family 2 0.0158 0.2936 0.7807
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.16 0.4254
Echinococcus multilocularis disks large 3 0.0024 0.0156 0.0414
Schistosoma mansoni hypothetical protein 0.0158 0.2936 0.3282
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.0392 0.1041
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.0392 0.1041
Loa Loa (eye worm) hypothetical protein 0.0499 1 1
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.16 0.4254
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0158 0.2936 0.7807
Echinococcus multilocularis dna repair protein rad51 1 0.0024 0.0158 0.042
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0158 0.2936 0.7807
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0198 0.3761 1
Brugia malayi Protein kinase domain containing protein 0.0028 0.0252 0.0095
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0167 0.3119 1
Schistosoma mansoni hypothetical protein 0.0341 0.673 0.7523
Echinococcus granulosus disks large 3 0.0024 0.0156 0.0414
Schistosoma mansoni hypothetical protein 0.0035 0.0392 0.0438
Schistosoma mansoni hypothetical protein 0.0158 0.2936 0.3282
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0158 0.2936 0.7807
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0198 0.3761 1
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0022 0.0128 0.0057
Toxoplasma gondii kringle domain-containing protein 0.0035 0.0392 0.1041
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0043 0.056 0.1488
Brugia malayi Protein kinase domain containing protein 0.0035 0.0392 0.0237
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0252 0.0095
Brugia malayi Uncoordinated protein 44 0.0028 0.0252 0.0095
Schistosoma mansoni DNA repair protein RAD51 0.0024 0.0158 0.0177
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0198 0.3761 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0392 0.0322
Giardia lamblia hypothetical protein 0.0016 0 0.5
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.006 0.0908 0.2911
Brugia malayi Guanylate kinase family protein 0.0026 0.0205 0.0048
Loa Loa (eye worm) hypothetical protein 0.0158 0.2936 0.2885
Schistosoma mansoni hypothetical protein 0.0028 0.0252 0.0282
Brugia malayi Latrophilin receptor protein 2 0.0158 0.2936 0.2823
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0158 0.2936 0.2823
Echinococcus multilocularis netrin receptor unc 5 0.0028 0.0252 0.067
Schistosoma mansoni hypothetical protein 0.0158 0.2936 0.3282
Echinococcus granulosus kelch ECH associated protein 1 0.0093 0.16 0.4254
Echinococcus granulosus dna repair protein rad51 1 0.0024 0.0158 0.042
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0043 0.056 0.1488
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0198 0.3761 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0198 0.3761 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0028 0.0252 0.067
Loa Loa (eye worm) hypothetical protein 0.0028 0.0252 0.0181
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.16 0.4254
Schistosoma mansoni ankyrin 23/unc44 0.0028 0.0252 0.0282
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0309 0.099
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0198 0.3761 0.3661
Schistosoma mansoni serine-type protease inhibitor 0.0448 0.8946 1
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0167 0.3119 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0167 0.3119 1
Echinococcus multilocularis Kelch repeat type 1 0.0094 0.1605 0.4268
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0031 0.0309 0.099
Brugia malayi Calcitonin receptor-like protein seb-1 0.0499 1 1
Onchocerca volvulus 0.0035 0.0392 1
Echinococcus granulosus netrin receptor unc 5 0.0028 0.0252 0.067
Brugia malayi latrophilin 2 splice variant baaae 0.0341 0.673 0.6678
Echinococcus granulosus GPCR family 2 0.0158 0.2936 0.7807
Schistosoma mansoni tumor necrosis factor receptor related 0.0043 0.056 0.0626
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0167 0.3119 1
Loa Loa (eye worm) rad51 0.0024 0.0158 0.0087
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0028 0.0252 0.067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0158 0.2936 0.2885
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0051 0.0726 0.1576
Echinococcus multilocularis Ankyrin 0.0028 0.0252 0.067
Loa Loa (eye worm) hypothetical protein 0.0341 0.673 0.6707
Giardia lamblia DNA helicase 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0094 0.1605 0.1794
Schistosoma mansoni serine-type protease inhibitor 0.0448 0.8946 1
Toxoplasma gondii meiotic recombination protein DMC1 family protein 0.0024 0.0158 0.042
Brugia malayi Death domain containing protein 0.0028 0.0252 0.0095
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0028 0.0252 0.0181
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0198 0.3761 1
Schistosoma mansoni cell polarity protein 0.0024 0.0156 0.0174
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.0392 0.0322
Mycobacterium ulcerans transcriptional regulator NrdR 0.0031 0.0309 0.099
Brugia malayi Kringle domain containing protein 0.0035 0.0392 0.0237
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0043 0.056 0.1488
Schistosoma mansoni hypothetical protein 0.0107 0.1884 0.2105
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0198 0.3761 0.3716

Activities

No activities found for this compound.

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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