Detailed information for compound 1961829

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.43 | Formula: C24H19FN4O4
  • H donors: 4 H acceptors: 4 LogP: 3.72 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)Oc1ccnc(c1)c1c[nH]c(c1)C(=O)O
  • InChi: 1S/C24H19FN4O4/c1-14-2-7-19(25)21(10-14)29-24(32)28-16-3-5-17(6-4-16)33-18-8-9-26-20(12-18)15-11-22(23(30)31)27-13-15/h2-13,27H,1H3,(H,30,31)(H2,28,29,32)
  • InChiKey: VLJVJTAAVYMOSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
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 granulosus tar DNA binding protein 0.0078 0.3104 0.6433
Loa Loa (eye worm) TAR-binding protein 0.0078 0.3104 0.3077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0069 0.2695 0.5585
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0069 0.2695 0.5585
Trypanosoma brucei PAB1-binding protein , putative 0.0037 0.111 0.5
Schistosoma mansoni tar DNA-binding protein 0.0078 0.3104 0.469
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0113 0.4825 1
Schistosoma mansoni voltage-gated potassium channel 0.0096 0.3972 0.6001
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0017 0.0119 0.0247
Toxoplasma gondii hypothetical protein 0.0039 0.1212 0.0277
Echinococcus multilocularis roundabout 2 0.0018 0.0178 0.0369
Brugia malayi Latrophilin receptor protein 2 0.0069 0.2695 0.2332
Echinococcus granulosus roundabout 2 0.0018 0.0178 0.0369
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0074 0.2926 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 0.5
Leishmania major hypothetical protein, conserved 0.0037 0.111 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0178 0.014
Schistosoma mansoni cell adhesion molecule 0.0015 0.0039 0.0058
Loa Loa (eye worm) RNA binding protein 0.0078 0.3104 0.3077
Echinococcus multilocularis GPCR, family 2 0.0069 0.2695 0.5585
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 0.5
Loa Loa (eye worm) hypothetical protein 0.022 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.7615 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.2695 0.2666
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0069 0.2695 0.5585
Schistosoma mansoni hypothetical protein 0.0069 0.2695 0.4071
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 1
Schistosoma mansoni tar DNA-binding protein 0.0078 0.3104 0.469
Trypanosoma cruzi PAB1-binding protein , putative 0.0037 0.111 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.015 0.6619 0.6451
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0039 0.1212 0.0277
Loa Loa (eye worm) hypothetical protein 0.0037 0.111 0.1075
Brugia malayi Probable ClpP-like protease 0.0113 0.4825 0.4568
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0039 0.008
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0092 0.3768 0.781
Loa Loa (eye worm) latrophilin receptor protein 2 0.0069 0.2695 0.2666
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0113 0.4825 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 1
Schistosoma mansoni tar DNA-binding protein 0.0078 0.3104 0.469
Brugia malayi hypothetical protein 0.0037 0.111 0.0668
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0074 0.2926 0.4744
Loa Loa (eye worm) hypothetical protein 0.015 0.6619 0.6606
Brugia malayi TAR-binding protein 0.0078 0.3104 0.2762
Echinococcus granulosus peptidase Clp S14 family 0.0074 0.2926 0.6065
Schistosoma mansoni hypothetical protein 0.0069 0.2695 0.4071
Echinococcus multilocularis peptidase Clp (S14 family) 0.0074 0.2926 0.6065
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0113 0.4825 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.022 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.4825 0.4805
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0113 0.4825 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0039 0.1212 0.0277
Schistosoma mansoni hypothetical protein 0.0069 0.2695 0.4071
Echinococcus multilocularis potassium voltage gated channel protein 0.0096 0.3972 0.8232
Schistosoma mansoni hypothetical protein 0.015 0.6619 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0178 0.014
Schistosoma mansoni hypothetical protein 0.0069 0.2695 0.4071
Brugia malayi RNA recognition motif domain containing protein 0.0078 0.3104 0.2762
Echinococcus granulosus GPCR family 2 0.0069 0.2695 0.5585
Echinococcus granulosus potassium voltage gated channel protein 0.0096 0.3972 0.8232
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0113 0.4825 1
Schistosoma mansoni hypothetical protein 0.0017 0.0119 0.018
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0113 0.4825 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0096 0.3972 0.8232
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0017 0.0119 0.0247
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0078 0.3104 0.3077
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.82 0.8111
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0096 0.3972 0.3673
Trypanosoma cruzi PAB1-binding protein , putative 0.0037 0.111 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0069 0.2695 0.2332
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0074 0.2926 0.5
Schistosoma mansoni tar DNA-binding protein 0.0078 0.3104 0.469
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0113 0.4825 1
Brugia malayi RNA binding protein 0.0078 0.3104 0.2762
Schistosoma mansoni tar DNA-binding protein 0.0078 0.3104 0.469
Echinococcus multilocularis tar DNA binding protein 0.0078 0.3104 0.6433
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0069 0.2695 0.5585
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.82 0.8193
Loa Loa (eye worm) hypothetical protein 0.0096 0.3972 0.3948
Schistosoma mansoni voltage-gated potassium channel 0.0096 0.3972 0.6001
Schistosoma mansoni vesicular amine transporter 0.0019 0.0239 0.0362
Schistosoma mansoni peptidase Clp (S14 family) 0.0113 0.4825 0.729
Loa Loa (eye worm) pigment dispersing factor receptor c 0.022 1 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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