Detailed information for compound 1505575

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.746 | Formula: C14H14ClN5O3
  • H donors: 2 H acceptors: 3 LogP: 1.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C/c1c(ncnc1N)Oc1ccc(cc1Cl)NC(=O)C
  • InChi: 1S/C14H14ClN5O3/c1-8(21)20-9-3-4-12(11(15)5-9)23-14-10(6-19-22-2)13(16)17-7-18-14/h3-7H,1-2H3,(H,20,21)(H2,16,17,18)/b19-6+
  • InChiKey: WBSFTWXRWKSZMN-KPSZGOFPSA-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Immunoglobulin I-set domain containing protein 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
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
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
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0025 0.0037 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.052 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.056 1
Echinococcus multilocularis roundabout 2 0.0018 0.0012 0.3318
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1349 0.444 0.4481
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0003 0.0719
Echinococcus multilocularis enteropeptidase 0.0025 0.0037 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0025 0.0037 1
Echinococcus granulosus transmembrane protease serine 3 0.0025 0.0037 1
Mycobacterium ulcerans penicillin-binding protein PbpA 0.2017 0.6664 0.6744
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0025 0.0037 1
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.2017 0.6664 0.6348
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0346 0.1103 0.1086
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.2979 0.9863 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0171
Schistosoma mansoni hypothetical protein 0.0025 0.0037 1
Treponema pallidum penicillin-binding protein (pbp-3) 0.1349 0.444 0.375
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Echinococcus granulosus roundabout 2 0.0018 0.0012 0.3318
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.2979 0.9863 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.2017 0.6664 0.6348
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0025 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0346 0.1103 0.1086
Schistosoma mansoni hypothetical protein 0.0025 0.0037 1
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1103 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.2979 0.9863 1
Echinococcus granulosus enteropeptidase 0.0025 0.0037 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.056 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0025 0.0037 1
Echinococcus multilocularis Mastin 0.0025 0.0037 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Echinococcus granulosus Mastin 0.0025 0.0037 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1
Echinococcus granulosus glycoprotein Antigen 5 0.0025 0.0037 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.0003 0.0719
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Echinococcus multilocularis transmembrane protease serine 3 0.0025 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0171
Onchocerca volvulus 0.0167 0.0507 0.9732
Loa Loa (eye worm) trypsin family protein 0.0025 0.0037 0.0611
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0611
Schistosoma mansoni cercarial elastase (S01 family) 0.0025 0.0037 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.21 uM Inhibition of VEGFR2 ChEMBL. 21316232

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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