Detailed information for compound 255631

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.533 | Formula: C24H28N8
  • H donors: 4 H acceptors: 0 LogP: 1.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1(/C=N/NC2=NCCN2)c2ccccc2C(c2c1cccc2)(C)/C=N/NC1=NCCN1
  • InChi: 1S/C24H28N8/c1-23(15-29-31-21-25-11-12-26-21)17-7-3-5-9-19(17)24(2,20-10-6-4-8-18(20)23)16-30-32-22-27-13-14-28-22/h3-10,15-16H,11-14H2,1-2H3,(H2,25,26,31)(H2,27,28,32)/b29-15+,30-16+
  • InChiKey: ZYGUBTUHZPUKMC-CMNXJCJSSA-N  

Network

Hover on a compound node to display the structore

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) ctsf protein 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Loa Loa (eye worm) fibroinase 0.0313 0.3939 0.3938
Brugia malayi Cathepsin L-like precursor 0.0216 0.2246 0.2093
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0091 0.0082 0.008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Trypanosoma cruzi cruzipain precursor, putative 0.0313 0.3939 0.3939
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0132 0.0791 0.5
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0132 0.0791 0.2009
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.017 0.1455 0.3693
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Echinococcus granulosus cathepsin l1 0.0313 0.3939 0.3938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Loa Loa (eye worm) hypothetical protein 0.0662 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0098 0.0193 0.0192
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0662 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0132 0.0791 0.0791
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Onchocerca volvulus 0.0313 0.3939 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0132 0.0791 0.2009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Plasmodium vivax vivapain-2 0.0313 0.3939 1
Trypanosoma cruzi cysteine proteinase, putative 0.017 0.1455 0.1455
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.2007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.017 0.1455 0.1287
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Onchocerca volvulus Cathepsin F homolog 0.0313 0.3939 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0313 0.3939 0.3938
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.017 0.1455 0.1287
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0132 0.0791 0.061
Echinococcus multilocularis cathepsin L cysteine protease 0.0313 0.3939 0.3938
Echinococcus multilocularis cysteine protease 0.0313 0.3939 0.3938
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0132 0.0791 0.0791
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0662 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.017 0.1455 0.1287
Trypanosoma brucei cysteine peptidase C (CPC) 0.0255 0.2928 0.7434
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.0791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0091 0.0082 0.008
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.2007
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Trypanosoma cruzi cruzipain precursor, putative 0.0098 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0216 0.2246 0.2245
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.0193 0.0193
Toxoplasma gondii cathepsin CPL 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.1455 0.3695
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0132 0.0791 0.061
Plasmodium vivax unspecified product 0.017 0.1455 0.3369
Brugia malayi Cathepsin L-like cysteine proteinase 0.0216 0.2246 0.2093
Echinococcus multilocularis cathepsin L cysteine protease 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0132 0.0791 0.2009
Echinococcus granulosus cathepsin L cysteine proteinase 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0193 0.0192
Entamoeba histolytica cysteine proteinase, putative 0.017 0.1455 0.2109
Loa Loa (eye worm) hypothetical protein 0.0098 0.0193 0.0192
Loa Loa (eye worm) hypothetical protein 0.0098 0.0193 0.0192
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0132 0.0791 0.079
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0132 0.0791 0.5
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0132 0.0791 0.079
Onchocerca volvulus 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Brugia malayi Papain family cysteine protease containing protein 0.0313 0.3939 0.382
Echinococcus granulosus cathepsin l cysteine peptidase 0.0313 0.3939 0.3938
Loa Loa (eye worm) hypothetical protein 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Brugia malayi cathepsin L-like precursor 0.0216 0.2246 0.2093
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0132 0.0791 0.1597
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0132 0.0791 0.061
Trypanosoma cruzi cysteine peptidase, putative 0.0313 0.3939 0.3939
Entamoeba histolytica cysteine proteinase, putative 0.0313 0.3939 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0662 1 1
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Echinococcus multilocularis cathepsin b 0.0662 1 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Loa Loa (eye worm) hypothetical protein 0.0216 0.2246 0.2245
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.0791
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0255 0.2928 0.2928
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0132 0.0791 0.079
Trypanosoma cruzi cysteine peptidase, putative 0.0313 0.3939 0.3939
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0132 0.0791 0.061
Echinococcus granulosus cathepsin L 0.017 0.1455 0.1454
Entamoeba histolytica cysteine proteinase, putative 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Onchocerca volvulus 0.0313 0.3939 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.017 0.1455 0.2109
Schistosoma mansoni cathepsin F (C01 family) 0.0216 0.2246 0.2093
Onchocerca volvulus 0.0313 0.3939 1
Trypanosoma cruzi cysteine protease, putative 0.017 0.1455 0.1455
Echinococcus granulosus cathepsin b 0.0662 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0313 0.3939 1
Schistosoma mansoni cathepsin F (C01 family) 0.0313 0.3939 0.382
Entamoeba histolytica cysteine proteinase, putative 0.017 0.1455 0.2109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Brugia malayi Cathepsin L-like precursor 0.0216 0.2246 0.2093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Schistosoma mansoni cathepsin F (C01 family) 0.0313 0.3939 0.382
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0132 0.0791 0.5
Toxoplasma gondii cathepsin B 0.0255 0.2928 0.6788
Trypanosoma cruzi cysteine proteinase, putative 0.017 0.1455 0.1455
Onchocerca volvulus Cathepsin L homolog 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0216 0.2246 0.2246
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0255 0.2928 0.2789
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0313 0.3939 1
Echinococcus multilocularis cathepsin L 0.017 0.1455 0.1454
Onchocerca volvulus Cathepsin L homolog 0.0313 0.3939 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0132 0.0791 0.2703
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.2007
Giardia lamblia Cathepsin B precursor 0.0255 0.2928 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.2246 0.2245
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0132 0.0791 0.2009
Plasmodium vivax vivapain-1 0.017 0.1455 0.3369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 0.2246 0.5699
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.0791
Giardia lamblia Cathepsin B precursor 0.0255 0.2928 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.2007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Trypanosoma cruzi cysteine peptidase, putative 0.0313 0.3939 0.3939
Brugia malayi Papain family cysteine protease containing protein 0.017 0.1455 0.1287
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0313 0.3939 1
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0255 0.2928 0.7434
Entamoeba histolytica cysteine proteinase 2 0.017 0.1455 0.2109
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.1455 0.3695
Leishmania major cysteine peptidase A (CPA) 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.017 0.1455 0.2109
Entamoeba histolytica cysteine proteinase, putative 0.017 0.1455 0.2109
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0132 0.0791 0.079
Plasmodium vivax vivapain-2 0.0313 0.3939 1
Giardia lamblia Cathepsin B precursor 0.0255 0.2928 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Entamoeba histolytica cysteine protease, putative 0.0313 0.3939 1
Echinococcus multilocularis cysteine protease 0.0313 0.3939 0.3938
Trypanosoma cruzi cysteine peptidase, putative 0.017 0.1455 0.1455
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0313 0.3939 1
Brugia malayi Papain family cysteine protease containing protein 0.017 0.1455 0.1287
Onchocerca volvulus 0.0313 0.3939 1
Echinococcus granulosus cathepsin l1 0.0216 0.2246 0.2245
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0132 0.0791 0.0791
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0313 0.3939 0.3938
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0255 0.2928 0.7433
Onchocerca volvulus 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0132 0.0791 0.2009
Echinococcus granulosus cathepsin b 0.0662 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0662 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0313 0.3939 0.3938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0132 0.0791 0.061
Entamoeba histolytica cysteine proteinase, putative 0.0216 0.2246 0.462
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0313 0.3939 1
Trypanosoma cruzi cysteine peptidase, putative 0.0313 0.3939 0.3939
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.017 0.1455 0.3693
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0662 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.017 0.1455 0.1454
Echinococcus granulosus cysteine protease 0.017 0.1455 0.1454
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Plasmodium vivax vivapain-3 0.017 0.1455 0.3369
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0132 0.0791 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.2007
Loa Loa (eye worm) cysteine protease 0.0313 0.3939 0.3938
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0132 0.0791 0.0791
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Echinococcus multilocularis cathepsin b 0.0662 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.017 0.1455 0.1455
Entamoeba histolytica cysteine proteinase, putative 0.017 0.1455 0.2109
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Leishmania major cathepsin L-like protease 0.0313 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0313 0.3939 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 0.2246 0.5699
Loa Loa (eye worm) cathepsin B 0.0255 0.2928 0.2927
Onchocerca volvulus 0.0313 0.3939 1
Brugia malayi Cathepsin L-like precursor 0.0313 0.3939 0.382
Entamoeba histolytica cysteine proteinase 1, putative 0.017 0.1455 0.2109

Activities

Activity type Activity value Assay description Source Reference
ILS (functional) = 0 % Percent increase in median life span of BDF1 mice with P-388 leukemia at dose 200 mg/kg administered intraperitoneally ChEMBL. 6806475
ILS (functional) = 0 % Percent increase in median life span of BDF1 mice with B-16 melanoma at dose 50 mg/kg administered intraperitoneally ChEMBL. 6806475

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.