Detailed information for compound 1930940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 207.232 | Formula: C9H13N5O
  • H donors: 4 H acceptors: 3 LogP: 0.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(NCCO)nc2c1c(N)n[nH]2
  • InChi: 1S/C9H13N5O/c1-5-4-6(11-2-3-15)12-9-7(5)8(10)13-14-9/h4,15H,2-3H2,1H3,(H4,10,11,12,13,14)
  • InChiKey: SUXKMTRVRGRPLJ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni Mername-AA248 (C02 family) 0.1224 0.2436 0.2436
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1224 0.2436 0.2436
Giardia lamblia Cathepsin B precursor 0.1313 0.2683 0.5
Trypanosoma cruzi kinesin, putative 0.0888 0.1514 0.1514
Trypanosoma cruzi calpain cysteine peptidase, putative 0.1224 0.2436 0.2436
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.2436
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.9081
Echinococcus multilocularis calpain A 0.3533 0.8773 0.8377
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.9081
Entamoeba histolytica protein kinase, putative 0.0888 0.1514 1
Giardia lamblia Cathepsin B precursor 0.1313 0.2683 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.2436
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1224 0.2436 0.2436
Echinococcus granulosus cathepsin b 0.398 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1313 0.2683 0.2683
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1224 0.2436 0.2436
Echinococcus multilocularis cathepsin b 0.398 1 1
Trypanosoma brucei calpain-like protein, putative 0.1224 0.2436 0.9081
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.398 1 1
Loa Loa (eye worm) cathepsin B 0.1313 0.2683 0.2683
Trypanosoma brucei cysteine peptidase C (CPC) 0.1313 0.2683 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.9081
Loa Loa (eye worm) hypothetical protein 0.2983 0.7265 0.7265
Brugia malayi calpain 7 0.1224 0.2436 0.2436
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.2436
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.3319 0.8186 0.8186
Loa Loa (eye worm) calpain family protein 1 0.3319 0.8186 0.8186
Loa Loa (eye worm) hypothetical protein 0.2096 0.4829 0.4829
Echinococcus multilocularis cathepsin b 0.398 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1224 0.2436 0.2436
Trypanosoma cruzi kinesin, putative 0.0888 0.1514 0.1514
Trypanosoma brucei calpain-like protein, putative 0.1224 0.2436 0.9081
Loa Loa (eye worm) calpain 5 0.0888 0.1514 0.1514
Schistosoma mansoni calpain-7 (C02 family) 0.1224 0.2436 0.2436
Brugia malayi calpain family protein 1 0.3319 0.8186 0.8186
Trypanosoma brucei calpain-like protein, putative 0.1224 0.2436 0.9081
Loa Loa (eye worm) hypothetical protein 0.3319 0.8186 0.8186
Loa Loa (eye worm) calpain 0.1224 0.2436 0.2436
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.3532 0.8769 0.8769
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.3532 0.8769 0.8373
Schistosoma mansoni calpain (C02 family) 0.1224 0.2436 0.2436
Trypanosoma brucei calpain-like protein, putative 0.1224 0.2436 0.9081
Trypanosoma brucei antigen, putative 0.1224 0.2436 0.9081
Schistosoma mansoni calpain-7 (C02 family) 0.1224 0.2436 0.2436
Giardia lamblia Cathepsin B precursor 0.1313 0.2683 0.5
Loa Loa (eye worm) calpain family protein 1 0.2431 0.575 0.575
Echinococcus multilocularis calpain family protein 1, d 0.2431 0.575 0.4382
Plasmodium falciparum calpain 0.0336 0 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.1224 0.2436 0.9081
Loa Loa (eye worm) hypothetical protein 0.2431 0.575 0.575
Plasmodium vivax calpain, putative 0.1224 0.2436 0.5
Loa Loa (eye worm) hypothetical protein 0.398 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.398 1 1
Trypanosoma brucei kinesin, putative 0.0888 0.1514 0.5645
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.2436
Schistosoma mansoni calpain C (C02 family) 0.1224 0.2436 0.2436
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.3532 0.8769 0.8373
Echinococcus granulosus calpain A 0.3533 0.8773 0.8377
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1313 0.2683 0.2683
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.1224 0.2436 0.9081
Echinococcus granulosus cathepsin b 0.398 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1313 0.2683 1
Leishmania major kinesin, putative 0.0888 0.1514 0.5645
Brugia malayi calpain 5 0.0888 0.1514 0.1514
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.1313 0.2683 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.398 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.3532 0.8769 0.8769
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1224 0.2436 0.2436
Toxoplasma gondii cathepsin B 0.1313 0.2683 1
Entamoeba histolytica calpain large subunit domain III containing protein 0.0888 0.1514 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.398 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.398 1 1
Brugia malayi calpain family protein 1 0.3319 0.8186 0.8186
Onchocerca volvulus 0.2096 0.4829 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.

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