Detailed information for compound 842841

Basic information

Technical information
  • TDR Targets ID: 842841
  • Name: 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1- oxopyrrolo[3,4-d]pyridazin-2-yl]-N-(2-dimethy laminoethyl)acetamide
  • MW: 415.916 | Formula: C21H26ClN5O2
  • H donors: 1 H acceptors: 2 LogP: 2.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)Cn1ncc2c(c1=O)c(C)n(c2C)Cc1cccc(c1)Cl)C
  • InChi: 1S/C21H26ClN5O2/c1-14-18-11-24-27(13-19(28)23-8-9-25(3)4)21(29)20(18)15(2)26(14)12-16-6-5-7-17(22)10-16/h5-7,10-11H,8-9,12-13H2,1-4H3,(H,23,28)
  • InChiKey: YRFUIUSBVUGJPM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-pyrrolo[3,4-d]pyridazin-2-yl]-N-(2-dimethylaminoethyl)acetamide
  • 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-2-pyrrolo[3,4-d]pyridazinyl]-N-(2-dimethylaminoethyl)acetamide
  • 2-[6-(3-chlorobenzyl)-1-keto-5,7-dimethyl-pyrrolo[3,4-d]pyridazin-2-yl]-N-(2-dimethylaminoethyl)acetamide
  • 2-[6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-pyrrolo[3,4-d]pyridazin-2-yl]-N-(2-dimethylaminoethyl)ethanamide

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
Trichomonas vaginalis CMGC family protein kinase 0.0049 0 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0067 0.0448 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0136 0.0202
Echinococcus multilocularis geminin 0.0335 0.7191 0.7191
Loa Loa (eye worm) hypothetical protein 0.0055 0.0136 0.0202
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0136 0.0136
Loa Loa (eye worm) prolyl oligopeptidase 0.0199 0.3778 0.5606
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0067 0.0448 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0136 0.0136
Loa Loa (eye worm) MBCTL1 0.0055 0.0136 0.0202
Loa Loa (eye worm) STAT protein 0.0317 0.6738 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0067 0.0448 0.0448
Brugia malayi prolyl oligopeptidase family protein 0.0199 0.3778 0.5606
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.352 0.352
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0067 0.0448 0.1031
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0222 0.4346 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.352 0.352
Trichomonas vaginalis CMGC family protein kinase 0.0049 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0199 0.3778 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0199 0.3778 0.3778
Loa Loa (eye worm) hypothetical protein 0.0051 0.0051 0.0075
Brugia malayi prolyl oligopeptidase family protein 0.0067 0.0448 0.0665
Trichomonas vaginalis CMGC family protein kinase 0.0049 0 0.5
Brugia malayi hypothetical protein 0.0051 0.0051 0.0075
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0067 0.0448 1
Schistosoma mansoni hypothetical protein 0.0292 0.6102 0.8486
Echinococcus granulosus neuropeptide receptor A26 0.0447 1 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0317 0.6738 1
Schistosoma mansoni hypothetical protein 0.0335 0.7191 1
Echinococcus granulosus geminin 0.0335 0.7191 0.7191
Giardia lamblia Kinase, CMGC MAPK 0.0049 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0447 1 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0199 0.3778 0.5253
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0136 0.0136
Echinococcus multilocularis neuropeptide s receptor 0.0447 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0067 0.0448 0.0623
Schistosoma mansoni hypothetical protein 0.0335 0.7191 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0067 0.0448 0.0448
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0199 0.3778 0.3778
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0136 0.0136
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0067 0.0448 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0136 0.019
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0067 0.0448 1

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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