Detailed information for compound 409714

Basic information

Technical information
  • TDR Targets ID: 409714
  • Name: 1-(2,4-dichlorophenyl)-N'-(4-methoxyphenyl)-6 -methyl-4H-indeno[1,2-c]pyrazole-3-carbohydra zide
  • MW: 479.358 | Formula: C25H20Cl2N4O2
  • H donors: 2 H acceptors: 2 LogP: 6.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NNC(=O)c1nn(c2c1Cc1c2ccc(c1)C)c1ccc(cc1Cl)Cl
  • InChi: 1S/C25H20Cl2N4O2/c1-14-3-9-19-15(11-14)12-20-23(25(32)29-28-17-5-7-18(33-2)8-6-17)30-31(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13,28H,12H2,1-2H3,(H,29,32)
  • InChiKey: OPQMMDVWZISTQB-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(2,4-dichlorophenyl)-N'-(4-methoxyphenyl)-6-methyl-4H-indeno[2,3-d]pyrazole-3-carbohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References
Mus musculus cannabinoid receptor 1 (brain) Starlite/ChEMBL 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
Entamoeba histolytica kinesin, putative 0.0054 0.1045 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0245 0.1145
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0245 0.0282
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.156 1
Plasmodium vivax kinesin-5 0.0054 0.1045 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0074 0.0086
Loa Loa (eye worm) kinesin-like protein KLP2 0.0054 0.1045 0.6532
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0074 0.0086
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0074 0.0086
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0245 0.0171
Toxoplasma gondii kinesin motor domain-containing protein 0.0054 0.1045 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0074 0.0086
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.1438 1
Brugia malayi Kinesin motor domain containing protein 0.0054 0.1045 0.6532
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0245 0.0282
Loa Loa (eye worm) hypothetical protein 0.0065 0.1316 0.8354
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0075 0.156 0.1497
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0245 0.0171
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0245 0.0171
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0245 0.0171
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.1731 0.1998
Loa Loa (eye worm) hypothetical protein 0.0022 0.0245 0.1145
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0074 0.0086
Echinococcus multilocularis kinesin family 1 0.0417 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0075 0.156 0.1497
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.1731 0.1998
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.156 1
Schistosoma mansoni hypothetical protein 0.0363 0.8663 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0074 0.0086
Schistosoma mansoni kinesin eg-5 0.0054 0.1045 0.1206
Giardia lamblia Kinesin-5 0.0054 0.1045 0.5
Plasmodium falciparum kinesin-5 0.0054 0.1045 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.1438 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3000 nM Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor ChEMBL. 17149879
Ki (binding) = 3000 nM Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor ChEMBL. 17149879
Ki (binding) > 5000 nM Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor ChEMBL. 17149879
Ki (binding) > 5000 nM Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor ChEMBL. 17149879

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

1 literature reference was collected for this gene.

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