Detailed information for compound 842996

Basic information

Technical information
  • TDR Targets ID: 842996
  • Name: 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1- oxopyrrolo[3,4-d]pyridazin-2-yl]-N-propylacet amide
  • MW: 386.875 | Formula: C20H23ClN4O2
  • H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)Cn1ncc2c(c1=O)c(C)n(c2C)Cc1ccccc1Cl
  • InChi: 1S/C20H23ClN4O2/c1-4-9-22-18(26)12-25-20(27)19-14(3)24(13(2)16(19)10-23-25)11-15-7-5-6-8-17(15)21/h5-8,10H,4,9,11-12H2,1-3H3,(H,22,26)
  • InChiKey: CWSZCLWBCAEMOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-pyrrolo[3,4-d]pyridazin-2-yl]-N-propyl-acetamide
  • 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-2-pyrrolo[3,4-d]pyridazinyl]-N-propylacetamide
  • 2-[6-(2-chlorobenzyl)-1-keto-5,7-dimethyl-pyrrolo[3,4-d]pyridazin-2-yl]-N-propyl-acetamide
  • 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-pyrrolo[3,4-d]pyridazin-2-yl]-N-propyl-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
Brugia malayi Hint module family protein 0.0055 0.058 0.0916
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0326 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0202 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0437 0.0257
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1877 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0227 0.0026
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0227 0.0152
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0213 0.013
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0371 0.0173
Schistosoma mansoni hypothetical protein 0.0031 0.0227 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0338 0.0431
Schistosoma mansoni hypothetical protein 0.0169 0.2273 0.2114
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.3268 0.3141
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0738 0.0563
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0992 0.0807
Schistosoma mansoni lozenge 0.0055 0.0583 0.0389
Brugia malayi chromobox protein homolog 3 0.0039 0.0338 0.0534
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0738 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0992 0.1387
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0338 0.0431
Echinococcus multilocularis hedgehog 0.0203 0.2784 0.2635
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0437 0.0241
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0227 0.0026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0437 0.0257
Loa Loa (eye worm) hypothetical protein 0.0235 0.3268 0.5057
Echinococcus multilocularis Protein lozenge 0.0055 0.0583 0.0389
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0437 0.0492
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0738 1
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0792 0.1064
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0992 0.0822
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0738 0.1166
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0326 0.0127
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1238 0.1955
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0133 0.2818
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2847 0.4379
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0338 0.0205
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0474 0.0749
Schistosoma mansoni hypothetical protein 0.0169 0.2273 0.2114
Brugia malayi hypothetical protein 0.0025 0.0133 0.0209
Brugia malayi Pre-SET motif family protein 0.003 0.0202 0.0318
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.077 0.1216
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0738 0.0977
Onchocerca volvulus 0.0041 0.0371 0.0258
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0133 1
Schistosoma mansoni hypothetical protein 0.0148 0.1962 0.1797
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0738 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0106 0.5
Schistosoma mansoni survival motor neuron protein 0.0048 0.0474 0.0278
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0738 0.0548
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0382 0.0543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0437 0.0241
Loa Loa (eye worm) hypothetical protein 0.0441 0.6332 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0437 0.0241
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1238 0.1955
Leishmania major hypothetical protein, conserved 0.0025 0.0133 0.0428
Loa Loa (eye worm) hypothetical protein 0.0039 0.0338 0.0332
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.2438 0.3636
Loa Loa (eye worm) hypothetical protein 0.0055 0.058 0.0722
Schistosoma mansoni hypothetical protein 0.0068 0.077 0.058
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0992 0.0807
Loa Loa (eye worm) hypothetical protein 0.0122 0.1577 0.2329
Echinococcus granulosus neuropeptide receptor A26 0.046 0.6621 0.6558
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0133 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0227 0.0042
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0133 0.0428
Echinococcus multilocularis chromobox protein 1 0.0069 0.0792 0.0603
Loa Loa (eye worm) hypothetical protein 0.0031 0.0227 0.0152
Onchocerca volvulus 0.0083 0.0992 0.1274
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0792 0.1588
Brugia malayi Heterochromatin protein 1 0.0069 0.0792 0.1252
Echinococcus multilocularis chromobox protein 1 0.0069 0.0792 0.0603
Onchocerca volvulus Huntingtin homolog 0.0122 0.1577 0.2229
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.4096 1
Onchocerca volvulus 0.0236 0.3274 0.5002
Brugia malayi hypothetical protein 0.0122 0.1577 0.249
Schistosoma mansoni chromobox protein 0.0069 0.0792 0.0603
Schistosoma mansoni microtubule-associated protein tau 0.0687 1 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0992 0.1567
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1877 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0106 0.5
Echinococcus granulosus geminin 0.0169 0.2273 0.2128
Schistosoma mansoni chromobox protein 0.0069 0.0792 0.0603
Schistosoma mansoni hypothetical protein 0.0031 0.0227 0.0026
Loa Loa (eye worm) hypothetical protein 0.0055 0.058 0.0722
Brugia malayi Pre-SET motif family protein 0.0207 0.2847 0.4497
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0227 0.0358
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1877 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0738 0.0548
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0437 0.0241
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0227 0.0358
Loa Loa (eye worm) hypothetical protein 0.0068 0.077 0.1028
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0738 1
Plasmodium vivax SET domain protein, putative 0.003 0.0202 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0227 0.0042
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0382 0.0543
Brugia malayi N-terminal motif family protein 0.018 0.2438 0.385
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.6621 0.6552
Echinococcus granulosus chromobox protein 1 0.0069 0.0792 0.0619
Loa Loa (eye worm) hypothetical protein 0.0441 0.6332 1
Echinococcus multilocularis microtubule associated protein 2 0.0687 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0227 0.0026
Onchocerca volvulus 0.0441 0.6332 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0382 0.0277
Schistosoma mansoni hypothetical protein 0.0031 0.0227 0.0026
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0202 1
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.4096 1
Loa Loa (eye worm) runx1 0.0055 0.0583 0.0727
Loa Loa (eye worm) hypothetical protein 0.0122 0.1577 0.2329
Echinococcus granulosus neuropeptide s receptor 0.046 0.6621 0.6558
Echinococcus multilocularis geminin 0.0169 0.2273 0.2114
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0437 0.0691
Echinococcus granulosus chromobox protein 1 0.0069 0.0792 0.0619
Echinococcus granulosus Desert hedgehog protein 0.0203 0.2784 0.2647
Brugia malayi Hint module family protein 0.0055 0.058 0.0916
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0792 0.1588
Onchocerca volvulus Huntingtin homolog 0.0122 0.1577 0.2229
Echinococcus multilocularis neuropeptide s receptor 0.046 0.6621 0.6552
Schistosoma mansoni hypothetical protein 0.0048 0.0474 0.0278
Loa Loa (eye worm) hypothetical protein 0.018 0.2438 0.3718
Trichomonas vaginalis set domain proteins, putative 0.0236 0.3274 0.7907
Onchocerca volvulus 0.0048 0.0474 0.0427
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.4096 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1238 0.1783
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0738 0.1585
Loa Loa (eye worm) hypothetical protein 0.003 0.0202 0.0111
Brugia malayi hypothetical protein 0.0441 0.6332 1
Brugia malayi hypothetical protein 0.0235 0.3268 0.5161
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0133 0.2818
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.4096 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.3268 0.313
Loa Loa (eye worm) hypothetical protein 0.0099 0.1238 0.1783
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0437 0.0241
Echinococcus granulosus GPCR family 2 0.0031 0.0227 0.0042
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0227 0.0026

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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