Detailed information for compound 1781157

Basic information

Technical information
  • TDR Targets ID: 1781157
  • Name: 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5- yl]phthalazin-1-amine
  • MW: 365.43 | Formula: C23H19N5
  • H donors: 1 H acceptors: 3 LogP: 4.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1cnc2c1ccc(c2)Nc1nnc(c2c1cccc2)C
  • InChi: 1S/C23H19N5/c1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23/h3-14H,1-2H3,(H,25,27)
  • InChiKey: UXDTXEPREVLYIY-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-methyl-N-[1-(4-methylphenyl)-5-benzimidazolyl]-1-phthalazinamine
  • [1-(4-methylphenyl)benzimidazol-5-yl]-(4-methylphthalazin-1-yl)amine
  • EU-0008898
  • CDS1_002005
  • DivK1c_003045
  • Oprea1_406835
  • ChemDiv1_008405
  • ZINC01251186
  • ZINC02297821
  • ZINC01251187
  • STK100215

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
Loa Loa (eye worm) hypothetical protein 0.0263 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0258 0.9706 0.9706
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0263 1 1
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0155 0.2852 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0258 0.9706 0.9706
Giardia lamblia Hypothetical protein 0.0155 0.2852 0.5
Mycobacterium ulcerans hypothetical protein 0.0155 0.2852 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0263 1 1
Onchocerca volvulus 0.0263 1 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0258 0.9706 0.9706
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0263 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0263 1 0.5
Giardia lamblia Hypothetical protein 0.0155 0.2852 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0263 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0258 0.9706 0.9706
Loa Loa (eye worm) hypothetical protein 0.0258 0.9706 0.9604
Schistosoma mansoni 6-phosphofructokinase 0.0263 1 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0155 0.2852 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 14 uM Cytotoxicity against human HEL cells after 72 hrs by plate reader analysis ChEMBL. 23567961
Inhibition (binding) Inhibition of IGF1R (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of TYRO3 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of EPHA5 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of FLT3 phosphorylation in mouse Ba/F3 cells transfected with FLT3-ITD cells at 500 nM after 90 mins by Western blot analysis ChEMBL. 23567961
Inhibition (binding) Inhibition of AXL (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of SRC (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of FYN (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of NTRK3 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of EPHA2 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of EGFR (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of MATK1 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of HCK (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of SYK (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of MERTK (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of EPHA1 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of FGFR3 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of TNK1 (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961
Inhibition (binding) Inhibition of YES (unknown origin) transfected in mouse Ba/F3 cells at 5 uM after 24 hrs ChEMBL. 23567961

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23567961

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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