Detailed information for compound 1147850

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 523.003 | Formula: C26H23ClN4O4S
  • H donors: 1 H acceptors: 6 LogP: 3.79 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N([C@@]1(C[C@H]1c1ccccc1)C(=O)O)CCn1cnnc1
  • InChi: 1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(15-14-30-17-28-29-18-30)26(25(32)33)16-24(26)21-4-2-1-3-5-21/h1-13,17-18,24H,14-16H2,(H,32,33)/t24-,26+/m0/s1
  • InChiKey: XHQBEROFGAURSY-AZGAKELHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis GPCR, family 2 0.0034 0.0064 0.0064
Trypanosoma cruzi lanosterol synthase, putative 0.0376 0.6852 0.5
Brugia malayi angiogenesis inhibito 0.0034 0.0061 0.0064
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0201 0.3391 0.3391
Schistosoma mansoni ceramide glucosyltransferase 0.0507 0.9467 1
Plasmodium falciparum transporter, putative 0.003 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0064 0.0067
Loa Loa (eye worm) hypothetical protein 0.0035 0.008 0.0085
Brugia malayi ADAM-TS Spacer 1 family protein 0.0109 0.1566 0.1654
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0064 0.0064
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0 0.5
Leishmania major lanosterol synthase, putative 0.0353 0.6399 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.084 0.0888
Treponema pallidum sodium- and chloride- dependent transporter 0.003 0 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0376 0.6852 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0201 0.3391 0.3582
Schistosoma mansoni ceramide glucosyltransferase 0.0507 0.9467 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0064 0.0067
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.1509 0.1594
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.1509 0.1594
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0046 0.0302 0.0302
Echinococcus multilocularis ceramide glucosyltransferase 0.0507 0.9467 0.9467
Echinococcus granulosus neuropeptide receptor A26 0.0534 1 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1509 0.1594
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0201 0.3391 0.3391
Toxoplasma gondii hypothetical protein 0.003 0 0.5
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0046 0.0302 0.0302
Schistosoma mansoni hypothetical protein 0.0034 0.0064 0.0067
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.003 0 0.5
Onchocerca volvulus 0.0148 0.2339 0.247
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0 0.5
Brugia malayi Ceramide glucosyltransferase 0.0507 0.9467 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0064 0.0067
Echinococcus multilocularis neuropeptide receptor A26 0.0534 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0064 0.0067
Loa Loa (eye worm) ceramide glucosyltransferase 0.0507 0.9467 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0433 0.8001 0.8451
Loa Loa (eye worm) hypothetical protein 0.0201 0.3391 0.3582
Brugia malayi ADAMTS-like protease 0.0034 0.0061 0.0064
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0507 0.9467 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.0433 0.8001 0.8001
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0433 0.8001 0.8451
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0201 0.3391 0.3582
Toxoplasma gondii hypothetical protein 0.003 0 0.5
Echinococcus granulosus adam 0.0031 0.0017 0.0017
Brugia malayi hypothetical protein 0.0148 0.2339 0.247
Loa Loa (eye worm) hypothetical protein 0.0109 0.1566 0.1654
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0064 0.0064
Echinococcus granulosus vesicular acetylcholine transporter 0.0433 0.8001 0.8001
Loa Loa (eye worm) hypothetical protein 0.0148 0.2339 0.247
Plasmodium vivax amine transporter, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0064 0.0067
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0487 0.0514
Plasmodium vivax hypothetical protein, conserved 0.003 0 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.0433 0.8001 0.8451
Onchocerca volvulus Papilin homolog 0.0035 0.008 0.0085
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0201 0.3391 0.3582
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0031 0.0017 0.0018
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0046 0.0302 0.0319
Trypanosoma brucei lanosterol synthase 0.0376 0.6852 0.5
Echinococcus multilocularis adam 0.0031 0.0017 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.084 0.0888
Brugia malayi hypothetical protein 0.0031 0.0017 0.0018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0064 0.0064
Plasmodium falciparum amino acid transporter, putative 0.003 0 0.5
Giardia lamblia Ceramide glucosyltransferase 0.023 0.3961 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0231 0.3984 0.5
Loa Loa (eye worm) hypothetical protein 0.0201 0.3391 0.3582
Brugia malayi Cytochrome P450 family protein 0.0055 0.0487 0.0514
Schistosoma mansoni hypothetical protein 0.0034 0.0064 0.0067
Echinococcus multilocularis neuropeptide s receptor 0.0534 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.1509 0.1594
Echinococcus granulosus ceramide glucosyltransferase 0.0507 0.9467 0.9467
Echinococcus granulosus GPCR family 2 0.0034 0.0064 0.0064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0034 0.0064 0.0067
Schistosoma mansoni hypothetical protein 0.0073 0.084 0.0888
Brugia malayi vesicular acetylcholine transporter unc-17 0.0433 0.8001 0.8451
Loa Loa (eye worm) hypothetical protein 0.0031 0.0017 0.0018

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.

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