Detailed information for compound 1058707

Basic information

Technical information
  • TDR Targets ID: 1058707
  • Name: 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxopyraz olo[3,4-d]pyridazin-5-yl]-N-(2,5-dimethylphen yl)acetamide
  • MW: 435.906 | Formula: C23H22ClN5O2
  • H donors: 1 H acceptors: 3 LogP: 4.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nc(C)c2c(c1=O)c(C)n(n2)c1ccc(cc1)Cl)Nc1cc(C)ccc1C
  • InChi: 1S/C23H22ClN5O2/c1-13-5-6-14(2)19(11-13)25-20(30)12-28-23(31)21-16(4)29(27-22(21)15(3)26-28)18-9-7-17(24)8-10-18/h5-11H,12H2,1-4H3,(H,25,30)
  • InChiKey: WPGAMZFTTWCTEG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,5-dimethylphenyl)acetamide
  • 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-5-pyrazolo[3,4-d]pyridazinyl]-N-(2,5-dimethylphenyl)acetamide
  • 2-[2-(4-chlorophenyl)-4-keto-3,7-dimethyl-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,5-dimethylphenyl)acetamide
  • 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,5-dimethylphenyl)ethanamide
  • G740-0098
  • NCGC00133457-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

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
Plasmodium falciparum LCCL domain-containing protein 0.0118 0.2418 0.5
Echinococcus granulosus glutamate receptor 4 0.0085 0.1228 0.1228
Loa Loa (eye worm) hypothetical protein 0.0118 0.2418 0.515
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0145 0.3363 0.3363
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0332 1 1
Echinococcus granulosus glutamate receptor 1 0.0085 0.1228 0.1228
Echinococcus multilocularis acetylcholinesterase 0.0145 0.3369 0.3369
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.006 0.034 0.034
Echinococcus multilocularis RUN 0.0118 0.2418 0.2418
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.006 0.034 0.034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.006 0.034 0.034
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0145 0.3363 0.3363
Loa Loa (eye worm) hypothetical protein 0.0085 0.1228 0.2616
Echinococcus multilocularis carboxylesterase 5A 0.0145 0.3369 0.3369
Echinococcus granulosus acetylcholinesterase 0.0145 0.3369 0.3369
Schistosoma mansoni rab6-interacting 0.0118 0.2418 0.2418
Echinococcus multilocularis glutamate receptor 2 0.0126 0.2699 0.2699
Echinococcus multilocularis glutamate receptor 2 0.0145 0.3363 0.3363
Loa Loa (eye worm) carboxylesterase 0.0145 0.3369 0.7178
Loa Loa (eye worm) doublecortin family protein 0.0118 0.2418 0.515
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.006 0.034 0.034
Schistosoma mansoni loxhd1 0.0118 0.2418 0.2418
Schistosoma mansoni rab6-interacting 0.0118 0.2418 0.2418
Loa Loa (eye worm) hypothetical protein 0.0118 0.2418 0.515
Loa Loa (eye worm) hypothetical protein 0.0085 0.1228 0.2616
Schistosoma mansoni glutamate receptor NMDA 0.006 0.034 0.034
Echinococcus granulosus Polycystic kidney disease protein 0.0118 0.2418 0.2418
Brugia malayi hypothetical protein 0.0182 0.4694 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0104 0.1892 0.1892
Echinococcus multilocularis lipoxygenase domain containing protein 0.0118 0.2418 0.2418
Echinococcus granulosus glutamate receptor 2 0.0126 0.2699 0.2699
Echinococcus multilocularis glutamate receptor 2 0.0135 0.3023 0.3023
Brugia malayi Glutamate receptor 1 precursor 0.0135 0.3023 0.2658
Loa Loa (eye worm) hypothetical protein 0.0182 0.4694 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0145 0.3369 0.7178
Schistosoma mansoni lipoxygenase 0.0332 1 1
Echinococcus granulosus carboxylesterase 5A 0.0145 0.3369 0.3369
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0145 0.3369 0.3369
Plasmodium vivax multidomain scavenger receptor, putative 0.0118 0.2418 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.0118 0.2418 0.2418
Echinococcus granulosus RUN 0.0118 0.2418 0.2418
Loa Loa (eye worm) hypothetical protein 0.0145 0.3369 0.7178
Echinococcus granulosus lipoxygenase domain containing protein 0.0118 0.2418 0.2418
Schistosoma mansoni lipoxygenase 0.0118 0.2418 0.2418
Loa Loa (eye worm) hypothetical protein 0.0145 0.3369 0.7178
Echinococcus multilocularis glutamate receptor 4 0.0085 0.1228 0.1228
Echinococcus multilocularis acetylcholinesterase 0.0145 0.3369 0.3369
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0104 0.1892 0.1892
Loa Loa (eye worm) hypothetical protein 0.0085 0.1228 0.2616
Echinococcus multilocularis lipoxygenase domain containing protein 0.0118 0.2418 0.2418
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.006 0.034 0.034
Loa Loa (eye worm) glutamate receptor 1 0.0135 0.3023 0.6439
Brugia malayi Carboxylesterase family protein 0.0145 0.3369 0.418
Schistosoma mansoni polycystin 1-related 0.0118 0.2418 0.2418
Brugia malayi Carboxylesterase family protein 0.0145 0.3369 0.418
Echinococcus granulosus lipoxygenase domain containing protein 0.0118 0.2418 0.2418
Onchocerca volvulus 0.0182 0.4694 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.006 0.034 0.034
Echinococcus granulosus glutamate receptor 2 0.0145 0.3363 0.3363
Schistosoma mansoni hypothetical protein 0.0118 0.2418 0.2418
Brugia malayi Glutamate receptor 2 precursor 0.0135 0.3023 0.2658
Echinococcus granulosus acetylcholinesterase 0.0145 0.3369 0.3369

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.