Detailed information for compound 1154484

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.837 | Formula: C18H20ClN5O2
  • H donors: 1 H acceptors: 4 LogP: 3.74 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)NN(c1nc(C#N)ncc1Cl)CC(C)C
  • InChi: 1S/C18H20ClN5O2/c1-12(2)11-24(18-15(19)10-21-16(9-20)22-18)23-17(25)8-13-4-6-14(26-3)7-5-13/h4-7,10,12H,8,11H2,1-3H3,(H,23,25)
  • InChiKey: ZWRMMEPTRVAIBA-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) jmjC domain-containing protein 0.0063 0.0379 0.04
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0085 0.0631 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0026 0.0078
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0075 0.0063
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0085 0.0631 0.3756
Onchocerca volvulus 0.0923 1 1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0085 0.0631 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0035 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0133 0.0128
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0085 0.0631 0.3774
Brugia malayi jmjC domain containing protein 0.0099 0.0789 0.0855
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0085 0.0631 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0075 0.0351
Onchocerca volvulus 0.0923 1 1
Brugia malayi jmjC domain containing protein 0.0037 0.0089 0.0079
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0085 0.0631 0.3756
Echinococcus multilocularis chromobox protein 1 0.0072 0.0489 0.2888
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0167 0.0687
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0158 0.0862
Trypanosoma brucei fatty acid desaturase, putative 0.0923 1 1
Echinococcus granulosus chromobox protein 1 0.0072 0.0489 0.2908
Trypanosoma cruzi fatty acid desaturase, putative 0.0923 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0838 0.9047 0.8983
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0489 0.0522
Mycobacterium tuberculosis Probable conserved membrane protein 0.0085 0.0631 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0221 0.2154 0.1626
Loa Loa (eye worm) acyl-CoA desaturase 0.0838 0.9047 1
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.2154 0.1626
Echinococcus granulosus peregrin 0.003 0.0017 0.0028
Brugia malayi Fatty acid desaturase family protein 0.0085 0.0631 0.0679
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0561 0.3329
Loa Loa (eye worm) hypothetical protein 0.0031 0.0026 0.0009
Brugia malayi acyl-CoA desaturase 0.0838 0.9047 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0789 0.4743
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0026 0.005
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0026 0.0132
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.2154 0.1626
Brugia malayi Delta5 fatty acid desaturase 0.0085 0.0631 0.0679
Echinococcus granulosus Fatty acid desaturase type 1 0.0085 0.0631 0.3774
Schistosoma mansoni chromobox protein 0.0072 0.0489 0.2888
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0167 0.0687
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0089 0.0464
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0085 0.0631 0.5
Brugia malayi chromobox protein homolog 3 0.0041 0.0133 0.0128
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0085 0.0631 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0085 0.0631 0.5
Echinococcus multilocularis geminin 0.0176 0.165 1
Onchocerca volvulus 0.0032 0.0035 0.0017
Onchocerca volvulus 0.0043 0.0158 0.0141
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0026 0.005
Brugia malayi Pre-SET motif family protein 0.0217 0.21 0.2306
Giardia lamblia PHD finger protein 15 0.003 0.0017 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0133 0.0545
Trypanosoma cruzi fatty acid desaturase, putative 0.0838 0.9047 0.8983
Loa Loa (eye worm) fatty acid desaturase 0.0085 0.0631 0.0679
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.21 0.2306
Brugia malayi Fatty acid desaturase family protein 0.0085 0.0631 0.0679
Echinococcus granulosus geminin 0.0176 0.165 1
Schistosoma mansoni fatty acid desaturase 0.0085 0.0631 0.3756
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0838 0.9047 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0258 0.0267
Loa Loa (eye worm) hypothetical protein 0.0052 0.026 0.0268
Loa Loa (eye worm) fatty acid desaturase 0.0085 0.0631 0.0679
Schistosoma mansoni hypothetical protein 0.0176 0.165 1
Mycobacterium ulcerans hypothetical protein 0.0085 0.0631 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0133 0.0115
Schistosoma mansoni hypothetical protein 0.0176 0.165 1
Brugia malayi Heterochromatin protein 1 0.0072 0.0489 0.0522
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0258 0.0267
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0089 0.0437
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0085 0.0631 0.5
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0085 0.0631 0.3756
Leishmania major fatty-acid desaturase, putative 0.0923 1 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0489 0.2008
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0089 0.0079
Plasmodium falciparum stearoyl-CoA desaturase 0.0838 0.9047 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0026 0.005
Mycobacterium ulcerans hypothetical protein 0.0085 0.0631 0.5
Schistosoma mansoni chromobox protein 0.0072 0.0489 0.2888
Echinococcus granulosus chromobox protein 1 0.0072 0.0489 0.2908
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0258 0.0267
Onchocerca volvulus 0.0246 0.2435 0.2421
Loa Loa (eye worm) hypothetical protein 0.0052 0.0258 0.0267
Plasmodium vivax SET domain protein, putative 0.0031 0.0026 0.0009
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0789 0.4728
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0026 0.005
Leishmania major hypothetical protein, conserved 0.0221 0.2154 0.1626
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0133 0.0545
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0167 0.015
Loa Loa (eye worm) hypothetical protein 0.0085 0.0631 0.0679
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0489 0.2008
Onchocerca volvulus 0.0085 0.0631 0.0614
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2435 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0026 0.005
Loa Loa (eye worm) hypothetical protein 0.0035 0.0075 0.0063
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0089 0.0437
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0017 0.0028
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0089 0.0437
Loa Loa (eye worm) FAT-3 protein 0.0085 0.0631 0.0679
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.015 0.0814
Echinococcus multilocularis chromobox protein 1 0.0072 0.0489 0.2888
Brugia malayi Pre-SET motif family protein 0.0031 0.0026 0.0009
Echinococcus granulosus jumonji domain containing protein 0.0042 0.015 0.084
Mycobacterium ulcerans electron transfer protein FdxB 0.0085 0.0631 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.
 
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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