Detailed information for compound 1507340

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 593.909 | Formula: C26H23Cl3N4O4S
  • H donors: 2 H acceptors: 5 LogP: 4.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#CC1=C(NC(=O)CC(Cl)C)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(cc1Cl)Cl)C(=O)CCC2
  • InChi: 1S/C26H23Cl3N4O4S/c1-14(27)11-23(35)32-26-19(13-30)24(18-10-5-15(28)12-20(18)29)25-21(3-2-4-22(25)34)33(26)16-6-8-17(9-7-16)38(31,36)37/h5-10,12,14,24H,2-4,11H2,1H3,(H,32,35)(H2,31,36,37)
  • InChiKey: HFQMCPMALUEUGH-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
Schistosoma mansoni titin 0.0208 0.1734 0.2097
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.026 0.3766 0.3766
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0215 0.2032 0.326
Brugia malayi hypothetical protein 0.0322 0.6234 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0212 0.189 0.189
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.026 0.3766 0.6041
Brugia malayi Immunoglobulin I-set domain containing protein 0.026 0.3766 0.6041
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0208 0.1734 0.2781
Schistosoma mansoni hemicentin 0.0208 0.1734 0.2097
Echinococcus multilocularis roundabout 2 0.026 0.3766 0.3766
Echinococcus granulosus roundabout 2 0.026 0.3766 0.3766
Echinococcus granulosus neuroglian 0.026 0.3766 0.3766
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Brugia malayi protein unc-22 0.0208 0.1734 0.2781
Onchocerca volvulus 0.0208 0.1734 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Schistosoma mansoni neuroglian 0.026 0.3766 0.4556
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0211 0.1837 0.1837
Brugia malayi Fibronectin type III domain containing protein 0.0322 0.6234 1
Echinococcus multilocularis neuroglian 0.026 0.3766 0.3766
Loa Loa (eye worm) hypothetical protein 0.0255 0.3571 0.5728
Onchocerca volvulus 0.0208 0.1734 1
Schistosoma mansoni titin 0.0208 0.1734 0.2097
Brugia malayi Immunoglobulin I-set domain containing protein 0.0215 0.2032 0.326
Loa Loa (eye worm) hypothetical protein 0.0322 0.6234 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0208 0.1734 0.2781
Echinococcus multilocularis transfer RNA-Phe 0.0208 0.1734 0.1734
Echinococcus multilocularis contactin neuroglian septate junction protein 0.026 0.3766 0.3766
Schistosoma mansoni nephrin 0.0367 0.7968 0.9639
Loa Loa (eye worm) hypothetical protein 0.0322 0.6234 1
Schistosoma mansoni hypothetical protein 0.0208 0.1734 0.2097
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Brugia malayi Immunoglobulin I-set domain containing protein 0.026 0.3766 0.6041
Echinococcus granulosus contactin 0.026 0.3766 0.3766
Loa Loa (eye worm) hypothetical protein 0.0255 0.3571 0.5728
Schistosoma mansoni cell adhesion molecule 0.0208 0.1734 0.2097
Echinococcus multilocularis titin 0.0208 0.1734 0.1734
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0208 0.1734 0.2781
Schistosoma mansoni cell adhesion molecule 0.0374 0.8266 1
Loa Loa (eye worm) CAMK protein kinase 0.0208 0.1734 0.2781
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.026 0.3766 0.3766
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0215 0.2032 0.2032
Echinococcus granulosus roundabout 2 0.026 0.3766 0.3766
Echinococcus granulosus titin 0.0208 0.1734 0.1734
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0212 0.189 0.189
Loa Loa (eye worm) projectin 0.0208 0.1734 0.2781
Echinococcus granulosus titin 0.0208 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.0208 0.1734 0.2781
Schistosoma mansoni cell adhesion molecule 0.026 0.3766 0.4556
Echinococcus granulosus twitchin 0.0203 0.1538 0.1538
Brugia malayi Immunoglobulin I-set domain containing protein 0.0259 0.3727 0.5979
Loa Loa (eye worm) hypothetical protein 0.0211 0.1837 0.2947
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0208 0.1734 0.2781
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.026 0.3766 0.3766
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.026 0.3766 0.3766
Echinococcus granulosus nephrin 0.0208 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.026 0.3766 0.6041
Schistosoma mansoni cell adhesion molecule 0.026 0.3766 0.4556
Brugia malayi Immunoglobulin I-set domain containing protein 0.0208 0.1734 0.2781
Brugia malayi Immunoglobulin I-set domain containing protein 0.0322 0.6234 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0259 0.3727 0.5979
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0208 0.1734 0.1734
Onchocerca volvulus 0.0208 0.1734 1
Schistosoma mansoni nephrin 0.026 0.3766 0.4556
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.026 0.3766 0.4556
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0215 0.2032 0.2032
Schistosoma mansoni serine/threonine protein kinase 0.0208 0.1734 0.2097
Schistosoma mansoni cell adhesion molecule 0.0208 0.1734 0.2097
Loa Loa (eye worm) hypothetical protein 0.0208 0.1734 0.2781
Echinococcus multilocularis roundabout 2 0.026 0.3766 0.3766
Schistosoma mansoni myosin-binding protein-related 0.0208 0.1734 0.2097
Schistosoma mansoni ephrin receptor 0.0212 0.189 0.2287
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.026 0.3766 0.6041
Loa Loa (eye worm) hypothetical protein 0.0322 0.6234 1
Echinococcus multilocularis neuroglian 0.0203 0.1538 0.1538
Echinococcus granulosus neuroglian 0.0203 0.1538 0.1538
Brugia malayi Immunoglobulin I-set domain containing protein 0.026 0.3766 0.6041

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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