Detailed information for compound 1512527

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.575 | Formula: C26H27N3O4S
  • H donors: 0 H acceptors: 3 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@]1(CC)N2C(=NC[C@@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)SCc1ccccc1
  • InChi: 1S/C26H27N3O4S/c1-3-26(24(32)33-2)21-20(22(30)28(23(21)31)15-17-10-6-4-7-11-17)19-14-27-25(29(19)26)34-16-18-12-8-5-9-13-18/h4-13,19-21H,3,14-16H2,1-2H3/t19-,20+,21-,26-/m1/s1
  • InChiKey: ZBKFDDCXQZUPLP-SBZFUYPRSA-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
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0231 0.3351 0.5347
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0181 0.1183 0.1183
Brugia malayi Immunoglobulin I-set domain containing protein 0.0231 0.3351 0.4264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0299 0.6267 1
Echinococcus granulosus nephrin 0.0181 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.0181 0.1183 0.1403
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0231 0.3351 0.3351
Echinococcus multilocularis roundabout 2 0.0231 0.3351 0.3351
Loa Loa (eye worm) hypothetical protein 0.0181 0.1183 0.1888
Loa Loa (eye worm) hypothetical protein 0.0204 0.2168 0.3459
Schistosoma mansoni hemicentin 0.0181 0.1183 0.1403
Loa Loa (eye worm) hypothetical protein 0.0181 0.1183 0.1888
Loa Loa (eye worm) projectin 0.0181 0.1183 0.1888
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0195 0.1785 0.1785
Schistosoma mansoni cell adhesion molecule 0.0231 0.3351 0.3973
Loa Loa (eye worm) hypothetical protein 0.0299 0.6267 1
Echinococcus granulosus roundabout 2 0.0231 0.3351 0.3351
Brugia malayi Immunoglobulin I-set domain containing protein 0.0231 0.3351 0.4264
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0231 0.3351 0.3973
Loa Loa (eye worm) hypothetical protein 0.0231 0.3351 0.5347
Echinococcus granulosus titin 0.0181 0.1183 0.1183
Brugia malayi Immunoglobulin I-set domain containing protein 0.0195 0.1785 0.1184
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0195 0.1785 0.2848
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0181 0.1183 0.1888
Echinococcus granulosus titin 0.0181 0.1183 0.1183
Schistosoma mansoni myosin-binding protein-related 0.0181 0.1183 0.1403
Brugia malayi Immunoglobulin I-set domain containing protein 0.0231 0.3351 0.4264
Loa Loa (eye worm) hypothetical protein 0.024 0.3733 0.5958
Loa Loa (eye worm) CAMK protein kinase 0.0181 0.1183 0.1888
Echinococcus granulosus twitchin 0.019 0.1566 0.1566
Onchocerca volvulus 0.0181 0.1183 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0246 0.401 0.6399
Echinococcus granulosus neuroglian 0.0231 0.3351 0.3351
Onchocerca volvulus 0.0181 0.1183 0.5
Schistosoma mansoni ephrin receptor 0.0187 0.146 0.1731
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0231 0.3351 0.3351
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1183 0.1888
Schistosoma mansoni serine/threonine protein kinase 0.0181 0.1183 0.1403
Echinococcus granulosus contactin 0.0231 0.3351 0.3351
Brugia malayi hypothetical protein 0.0299 0.6267 1
Echinococcus granulosus neuroglian 0.019 0.1566 0.1566
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0231 0.3351 0.3351
Schistosoma mansoni nephrin 0.0231 0.3351 0.3973
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0204 0.2168 0.2168
Loa Loa (eye worm) hypothetical protein 0.0299 0.6267 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1183 0.1888
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0187 0.146 0.146
Brugia malayi Fibronectin type III domain containing protein 0.0299 0.6267 1
Schistosoma mansoni nephrin 0.0335 0.7832 0.9286
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0231 0.3351 0.3351
Loa Loa (eye worm) hypothetical protein 0.024 0.3733 0.5958
Brugia malayi Immunoglobulin I-set domain containing protein 0.0246 0.401 0.5562
Schistosoma mansoni neuroglian 0.0231 0.3351 0.3973
Onchocerca volvulus 0.0181 0.1183 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1183 0.1888
Echinococcus multilocularis titin 0.0181 0.1183 0.1183
Schistosoma mansoni cell adhesion molecule 0.0349 0.8434 1
Schistosoma mansoni cell adhesion molecule 0.0181 0.1183 0.1403
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0195 0.1785 0.1785
Schistosoma mansoni cell adhesion molecule 0.0231 0.3351 0.3973
Echinococcus multilocularis neuroglian 0.019 0.1566 0.1566
Loa Loa (eye worm) hypothetical protein 0.0299 0.6267 1
Echinococcus granulosus roundabout 2 0.0231 0.3351 0.3351
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0231 0.3351 0.3351
Schistosoma mansoni cell adhesion molecule 0.0181 0.1183 0.1403
Echinococcus multilocularis neuroglian 0.0231 0.3351 0.3351
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0187 0.146 0.146
Echinococcus multilocularis roundabout 2 0.0231 0.3351 0.3351
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0231 0.3351 0.5347
Schistosoma mansoni titin 0.0181 0.1183 0.1403
Echinococcus multilocularis transfer RNA-Phe 0.0181 0.1183 0.1183
Schistosoma mansoni titin 0.0181 0.1183 0.1403

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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