Detailed information for compound 207272

Basic information

Technical information
  • TDR Targets ID: 207272
  • Name: 7-chloro-2-(pyridin-4-ylmethyl)-3,5-dihydropy ridazino[4,5-b]quinoline-1,4,10-trione
  • MW: 354.747 | Formula: C17H11ClN4O3
  • H donors: 2 H acceptors: 4 LogP: 1.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[nH]c1c(c2=O)c(=O)n([nH]c1=O)Cc1ccncc1
  • InChi: 1S/C17H11ClN4O3/c18-10-1-2-11-12(7-10)20-14-13(15(11)23)17(25)22(21-16(14)24)8-9-3-5-19-6-4-9/h1-7H,8H2,(H,20,23)(H,21,24)
  • InChiKey: HXAUOPBEYSUYJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-chloro-2-(4-pyridylmethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0036 0.0243 0.034
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Brugia malayi Tyrosine-protein kinase abl-1 0.0104 0.2607 0.2567
Echinococcus multilocularis integrin alpha ps 0.0069 0.1389 0.1944
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0031 0.0054 0.0076
Brugia malayi Tyrosine-protein kinase abl-1 0.0077 0.1659 0.1614
Brugia malayi Kelch motif family protein 0.0048 0.0651 0.06
Echinococcus granulosus tyrosine protein kinase Src64B 0.0036 0.0243 0.034
Brugia malayi SRC-1 0.0036 0.0243 0.0189
Echinococcus granulosus integrin beta 2 0.0235 0.7143 1
Loa Loa (eye worm) SRC-1 0.0036 0.0243 0.0189
Loa Loa (eye worm) hypothetical protein 0.0085 0.1945 0.1901
Schistosoma mansoni tyrosine kinase 0.017 0.4909 0.8954
Schistosoma mansoni integrin alpha 0.0155 0.4358 0.7921
Brugia malayi Integrin alpha pat-2 precursor 0.0155 0.4358 0.4327
Brugia malayi hypothetical protein 0.0048 0.0651 0.06
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0036 0.0243 0.034
Loa Loa (eye worm) integrin alpha pat-2 0.0238 0.7273 0.7258
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.0088 0.0124
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0036 0.0243 0.034
Loa Loa (eye worm) hypothetical protein 0.0121 0.3201 0.3164
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0232 0.0179
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0031 0.0054 0.0076
Echinococcus granulosus tyrosine protein kinase ABL1 0.0176 0.5103 0.7144
Echinococcus granulosus integrin alpha ps 0.0069 0.1389 0.1944
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0036 0.0243 0.034
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0036 0.0243 0.034
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0048 0.0651 0.06
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0036 0.0243 0.034
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.0088 0.0124
Loa Loa (eye worm) hypothetical protein 0.0117 0.3047 0.3009
Echinococcus multilocularis tyrosine protein kinase Srms 0.0031 0.0054 0.0076
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0079
Echinococcus granulosus tyrosine kinase 0.0031 0.0054 0.0076
Schistosoma mansoni tyrosine kinase 0.0036 0.0243 0.0207
Loa Loa (eye worm) hypothetical protein 0.0066 0.1278 0.123
Loa Loa (eye worm) hypothetical protein 0.0048 0.0651 0.06
Schistosoma mansoni integrin beta subunit 0.0186 0.5467 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0117 0.3047 0.3009
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0036 0.0243 0.034
Echinococcus granulosus integrin alpha 3 0.0119 0.3102 0.4343
Schistosoma mansoni integrin alpha-ps 0.0069 0.1389 0.2355
Echinococcus multilocularis integrin alpha ps 0.0033 0.0132 0.0185
Echinococcus granulosus tyrosine protein kinase Src42A 0.0036 0.0243 0.034
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0036 0.0243 0.034
Echinococcus multilocularis tyrosine protein kinase Abl 0.0077 0.1659 0.2323
Echinococcus multilocularis integrin beta 2 0.0235 0.7143 1
Schistosoma mansoni integrin alpha-ps 0.0036 0.0232 0.0187
Loa Loa (eye worm) TK/ABL protein kinase 0.0176 0.5103 0.5076
Echinococcus granulosus tyrosine protein kinase Lyn 0.0036 0.0243 0.034
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Echinococcus multilocularis integrin alpha ps 0.0069 0.1389 0.1944
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0176 0.5103 0.7144
Echinococcus granulosus integrin alpha ps 0.0033 0.0132 0.0185
Loa Loa (eye worm) integrin beta-2 0.0317 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0088 0.0124
Echinococcus multilocularis integrin alpha 3 0.0119 0.3102 0.4343
Schistosoma mansoni tyrosine kinase 0.0036 0.0243 0.0207
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.0243 0.034
Echinococcus granulosus tyrosine protein kinase Blk 0.0031 0.0054 0.0076
Echinococcus multilocularis tyrosine protein kinase Blk 0.0031 0.0054 0.0076

Activities

Activity type Activity value Assay description Source Reference
F (ADMET) = 5 % Oral bioavailability in rat ChEMBL. 14505669
Ki (binding) = 115 nM Affinity for glycine site of NMDA receptor on rat brain membranes by displacement of [3H]- MDL 105,519. ChEMBL. 14505669
Ki (binding) = 115 nM Affinity for glycine site of NMDA receptor on rat brain membranes by displacement of [3H]- MDL 105,519. ChEMBL. 14505669
Permeability (functional) = 0.0000002 Cellular permeability in Caco-2 cells. ChEMBL. 14505669
S = 0.05 mg ml-1 Solubility (of methanesulfonate salt, pH 7.4) ChEMBL. 14505669

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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