Detailed information for compound 172117

Basic information

Technical information
  • TDR Targets ID: 172117
  • Name: 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c ]quinolin-4-amine
  • MW: 376.882 | Formula: C22H21ClN4
  • H donors: 1 H acceptors: 2 LogP: 6.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1nc2c(c1)c1ccccc1nc2NC1CCCCC1
  • InChi: 1S/C22H21ClN4/c23-15-10-12-17(13-11-15)27-14-19-18-8-4-5-9-20(18)25-22(21(19)26-27)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25)
  • InChiKey: UTPDFCMPLJDLGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)-N-cyclohexyl-pyrazolo[3,4-c]quinolin-4-amine
  • 2-(4-chlorophenyl)-N-cyclohexyl-4-pyrazolo[3,4-c]quinolinamine
  • [2-(4-chlorophenyl)pyrazolo[3,4-c]quinolin-4-yl]-cyclohexyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosine A3 receptor Starlite/ChEMBL References
Bos taurus Adenosine A1 receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 331 aa 25.7 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 277 aa 23.8 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 304 aa 25.3 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 307 aa 21.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 318 aa 22.3 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.3 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 311 aa 21.9 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 301 aa 25.6 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 312 aa 22.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 296 aa 22.6 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 314 aa 21.7 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 315 aa 23.8 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 312 aa 24.0 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 306 aa 26.1 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 311 aa 21.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 326 aa 20.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0332 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0933 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0332 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0332 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0332 0 0.5
Schistosoma mansoni brg-1 associated factor 0.0933 1 1
Loa Loa (eye worm) brahma associated protein 0.0933 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0933 1 1
Leishmania major hypothetical protein, conserved 0.0332 0 0.5
Leishmania major hypothetical protein, conserved 0.0332 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0933 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0332 0 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0332 0 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0933 1 1
Leishmania major hypothetical protein, conserved 0.0332 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0332 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0933 1 1
Leishmania major hypothetical protein, conserved 0.0332 0 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0933 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0933 1 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0933 1 0.5
Onchocerca volvulus 0.0933 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0933 1 1
Brugia malayi brahma associated protein 60 kDa 0.0933 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0332 0 0.5
Schistosoma mansoni hypothetical protein 0.0933 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0933 1 1
Chlamydia trachomatis SWIB complex protein 0.0933 1 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0332 0 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0933 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0933 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0332 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0933 1 1
Schistosoma mansoni hypothetical protein 0.0933 1 1
Schistosoma mansoni hypothetical protein 0.0933 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0332 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0332 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0332 0 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0933 1 1
Leishmania major hypothetical protein, conserved 0.0332 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0933 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0933 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0332 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 8 % Inhibition of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in bovine striatal membranes at 20 uM. ChEMBL. 10956220
Inhibition (binding) = 8 % Inhibition of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in bovine striatal membranes at 20 uM. ChEMBL. 10956220
Ki (binding) = 56.5 nM Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in CHO cells ChEMBL. 10956220
Ki (binding) = 56.5 nM Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in CHO cells ChEMBL. 10956220
Ki (binding) = 478 nM Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes ChEMBL. 10956220
Ki (binding) = 478 nM Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes ChEMBL. 10956220

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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