Detailed information for compound 1507342

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 593.48 | Formula: C29H22Cl2N4O4S
  • H donors: 2 H acceptors: 5 LogP: 5.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#CC1=C(NC(=O)c2ccccc2)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(cc1Cl)Cl)C(=O)CCC2
  • InChi: 1S/C29H22Cl2N4O4S/c30-18-9-14-21(23(31)15-18)26-22(16-32)28(34-29(37)17-5-2-1-3-6-17)35(24-7-4-8-25(36)27(24)26)19-10-12-20(13-11-19)40(33,38)39/h1-3,5-6,9-15,26H,4,7-8H2,(H,34,37)(H2,33,38,39)
  • InChiKey: FCWCHBXRGDAYBL-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
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0264 0.2646 0.2646
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0219 0.0592 0.0647
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0264 0.2646 0.2646
Schistosoma mansoni cell adhesion molecule 0.0264 0.2646 0.3115
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0219 0.0592 0.0592
Schistosoma mansoni ephrin receptor 0.0218 0.0525 0.0359
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0218 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0328 0.5548 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2646 0.4524
Schistosoma mansoni neuroglian 0.0264 0.2646 0.3115
Echinococcus granulosus contactin 0.0264 0.2646 0.2646
Echinococcus granulosus neuroglian 0.0264 0.2646 0.2646
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0264 0.2646 0.2646
Loa Loa (eye worm) hypothetical protein 0.0214 0.0343 0.0177
Onchocerca volvulus 0.0212 0.0249 0.5
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0264 0.2646 0.2646
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0212 0.0249 0.0249
Brugia malayi Immunoglobulin I-set domain containing protein 0.0265 0.2674 0.4576
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0264 0.2646 0.2646
Echinococcus multilocularis neuroglian 0.0264 0.2646 0.2646
Onchocerca volvulus 0.0212 0.0249 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0264 0.2646 0.4524
Echinococcus multilocularis roundabout 2 0.0264 0.2646 0.2646
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0264 0.2646 0.3115
Loa Loa (eye worm) hypothetical protein 0.0328 0.5548 1
Echinococcus granulosus titin 0.0212 0.0249 0.0249
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0264 0.2646 0.4524
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0264 0.2646 0.4524
Brugia malayi hypothetical protein 0.0328 0.5548 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0264 0.2646 0.4524
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0214 0.0343 0.0343
Echinococcus granulosus nephrin 0.0212 0.0249 0.0249
Schistosoma mansoni nephrin 0.0264 0.2646 0.3115
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0219 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0259 0.2397 0.4054
Brugia malayi Immunoglobulin I-set domain containing protein 0.0264 0.2646 0.4524
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0218 0.0525 0.0525
Brugia malayi Fibronectin type III domain containing protein 0.0328 0.5548 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0219 0.0592 0.0647
Echinococcus multilocularis roundabout 2 0.0264 0.2646 0.2646
Brugia malayi Immunoglobulin I-set domain containing protein 0.0328 0.5548 1
Echinococcus granulosus titin 0.0212 0.0249 0.0249
Echinococcus multilocularis titin 0.0212 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0328 0.5548 1
Schistosoma mansoni nephrin 0.0373 0.7603 0.9555
Echinococcus granulosus roundabout 2 0.0264 0.2646 0.2646
Echinococcus granulosus roundabout 2 0.0264 0.2646 0.2646
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0265 0.2674 0.4576
Loa Loa (eye worm) hypothetical protein 0.0259 0.2397 0.4054
Onchocerca volvulus 0.0212 0.0249 0.5
Echinococcus multilocularis transfer RNA-Phe 0.0212 0.0249 0.0249
Schistosoma mansoni cell adhesion molecule 0.0264 0.2646 0.3115
Schistosoma mansoni cell adhesion molecule 0.038 0.7946 1

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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