Detailed information for compound 1481774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.567 | Formula: C25H27N3S
  • H donors: 1 H acceptors: 1 LogP: 7.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(Sc1ccc(cc1)c1nc2n(c1NCc1ccccc1)cc(cc2)C)C
  • InChi: 1S/C25H27N3S/c1-4-19(3)29-22-13-11-21(12-14-22)24-25(26-16-20-8-6-5-7-9-20)28-17-18(2)10-15-23(28)27-24/h5-15,17,19,26H,4,16H2,1-3H3
  • InChiKey: KHELVDMONQBQRT-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
Loa Loa (eye worm) hypothetical protein 0.112 0.8041 0.9824
Schistosoma mansoni serine/threonine protein kinase 0.0909 0.6482 0.6482
Echinococcus multilocularis Immunoglobulin 0.005 0.0129 0.0129
Echinococcus granulosus epidermal growth factor receptor 0.0799 0.5673 0.5673
Plasmodium falciparum protein kinase 5 0.1139 0.8185 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.1139 0.8185 1
Echinococcus granulosus cyclin dependent kinase 0.1139 0.8185 0.8185
Echinococcus multilocularis roundabout 2 0.0078 0.0342 0.0342
Trypanosoma brucei cdc2-related kinase 1 0.1139 0.8185 0.5
Echinococcus granulosus cyclin dependent kinase 1 0.1139 0.8185 0.8185
Echinococcus granulosus cyclin dependent kinase 7 0.0427 0.2923 0.2923
Onchocerca volvulus 0.0068 0.0263 0.0491
Echinococcus granulosus cyclin dependent kinase 6 0.0909 0.6482 0.6482
Brugia malayi Furin-like cysteine rich region family protein 0.0799 0.5673 0.693
Loa Loa (eye worm) TK/ROR protein kinase 0.0089 0.0424 0.0518
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0657 0.0802
Echinococcus multilocularis neuroglian 0.0062 0.0223 0.0223
Schistosoma mansoni hypothetical protein 0.0068 0.0263 0.0263
Echinococcus multilocularis insulin receptor 0.0258 0.1674 0.1674
Echinococcus multilocularis microtubule associated protein 2 0.1384 1 1
Brugia malayi hypothetical protein 0.005 0.0129 0.0158
Schistosoma mansoni Neurotrimin precursor (hNT) 0.005 0.0129 0.0129
Echinococcus granulosus Immunoglobulin 0.005 0.0129 0.0129
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.1139 0.8185 0.8185
Schistosoma mansoni hypothetical protein 0.0035 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Schistosoma mansoni cell adhesion molecule 0.0066 0.0249 0.0249
Brugia malayi Protein kinase domain containing protein 0.0258 0.1674 0.2045
Brugia malayi Fibronectin type III domain containing protein 0.005 0.0129 0.0158
Schistosoma mansoni tyrosine kinase 0.0431 0.2953 0.2953
Trichomonas vaginalis CMGC family protein kinase 0.1139 0.8185 0.5
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1139 0.8185 1
Echinococcus granulosus insulin receptor 0.0258 0.1674 0.1674
Plasmodium vivax protein kinase Crk2 0.1139 0.8185 1
Onchocerca volvulus Tyrosine kinase homolog 0.0757 0.5361 1
Schistosoma mansoni tyrosine kinase 0.0422 0.2887 0.2887
Brugia malayi cell division control protein 2 homolog 0.1139 0.8185 1
Schistosoma mansoni tyrosine kinase 0.0258 0.1674 0.1674
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0657 0.0802
Schistosoma mansoni microtubule-associated protein tau 0.1384 1 1
Brugia malayi Protein kinase domain containing protein 0.0077 0.033 0.0403
Echinococcus multilocularis epidermal growth factor receptor 0.0431 0.2953 0.2953
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0097 0.0097
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.005 0.0129 0.0129
Onchocerca volvulus 0.0735 0.5201 0.9701
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1139 0.8185 1
Echinococcus granulosus tissue type plasminogen activator 0.0068 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0078 0.0342 0.0418
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.1139 0.8185 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0799 0.5673 0.693
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0097 0.0097
Trypanosoma cruzi cdc2-related kinase 3 0.1139 0.8185 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Trichomonas vaginalis CMGC family protein kinase 0.1139 0.8185 0.5
Schistosoma mansoni tyrosine kinase 0.0431 0.2953 0.2953
Schistosoma mansoni tyrosine kinase 0.0422 0.2887 0.2887
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0097 0.0119
Trypanosoma cruzi cdc2-related kinase 3 0.1139 0.8185 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0136 0.0166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0078 0.0342 0.0418
Trypanosoma cruzi cdc2-related kinase 1 0.1139 0.8185 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.1139 0.8185 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0129 0.0158
Schistosoma mansoni serine/threonine protein kinase 0.1139 0.8185 0.8185
Echinococcus granulosus twitchin 0.0082 0.0367 0.0367
Brugia malayi Immunoglobulin I-set domain containing protein 0.081 0.5754 0.7029
Loa Loa (eye worm) TK/INSR protein kinase 0.0258 0.1674 0.2045
Giardia lamblia Kinase, CMGC CDK 0.1139 0.8185 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.081 0.5754 0.7029
Schistosoma mansoni tyrosine kinase 0.0038 0.0042 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0097 0.0097
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0097 0.0119
Echinococcus multilocularis cyclin dependent kinase 7 0.0427 0.2923 0.2923
Echinococcus granulosus cyclin dependent kinase 5 0.1139 0.8185 0.8185
Echinococcus multilocularis cyclin dependent kinase 1 0.1139 0.8185 0.8185
Echinococcus granulosus defective proboscis extension response 0.005 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0066 0.0249 0.0304
Brugia malayi MH2 domain containing protein 0.0121 0.0657 0.0802
Echinococcus multilocularis cyclin dependent kinase 0.1139 0.8185 0.8185
Schistosoma mansoni tyrosine kinase 0.0422 0.2887 0.2887
Schistosoma mansoni serine/threonine protein kinase 0.0427 0.2923 0.2923
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0048 0.012 0.0146
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0258 0.1674 0.1674
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0097 0.0097
Schistosoma mansoni tyrosine kinase 0.0258 0.1674 0.1674
Entamoeba histolytica cell division protein kinase 2, putative 0.1139 0.8185 0.5
Echinococcus multilocularis cyclin dependent kinase 6 0.0909 0.6482 0.6482
Schistosoma mansoni serine/threonine protein kinase 0.0427 0.2923 0.2923
Echinococcus multilocularis cyclin dependent kinase 1 0.1139 0.8185 0.8185
Echinococcus multilocularis epidermal growth factor receptor 0.0799 0.5673 0.5673
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0022
Loa Loa (eye worm) hypothetical protein 0.0068 0.0263 0.0322
Trypanosoma cruzi cdc2-related kinase 1 0.1139 0.8185 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0431 0.2953 0.2953
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0427 0.2923 0.3571
Giardia lamblia Kinase, CMGC CDK 0.1139 0.8185 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0258 0.1674 0.1674
Brugia malayi Protein kinase domain containing protein 0.1139 0.8185 1
Schistosoma mansoni serine/threonine protein kinase 0.1139 0.8185 0.8185
Echinococcus granulosus roundabout 2 0.0078 0.0342 0.0342
Schistosoma mansoni tyrosine kinase 0.0799 0.5673 0.5673
Entamoeba histolytica cell division protein kinase 2, putative 0.1139 0.8185 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0068 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Echinococcus multilocularis 0.0246 0.1581 0.1581
Loa Loa (eye worm) hypothetical protein 0.0051 0.0136 0.0166
Echinococcus granulosus neuroglian 0.0062 0.0223 0.0223
Echinococcus multilocularis cyclin dependent kinase 5 0.1139 0.8185 0.8185
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0018 0.0022
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0066 0.0249 0.0249
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.1139 0.8185 1
Echinococcus multilocularis Immunoglobulin 0.005 0.0129 0.0129
Trichomonas vaginalis CMGC family protein kinase 0.1139 0.8185 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0136 0.0166
Schistosoma mansoni vesicular amine transporter 0.005 0.0129 0.0129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0097 0.0097
Schistosoma mansoni nephrin 0.0062 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Loa Loa (eye worm) hypothetical protein 0.005 0.0129 0.0158
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0097 0.0097
Echinococcus granulosus epidermal growth factor receptor 0.0431 0.2953 0.2953
Echinococcus multilocularis basement membrane specific heparan sulfate 0.005 0.0129 0.0129
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0136 0.0166
Brugia malayi cyclin-dependent kinase 7 homolog 0.0427 0.2923 0.3571
Brugia malayi Kringle domain containing protein 0.0068 0.0263 0.0322
Trypanosoma brucei cdc2-related kinase 3 0.1139 0.8185 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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