Detailed information for compound 460146

Basic information

Technical information
  • TDR Targets ID: 460146
  • Name: 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl ]-3-naphthalen-1-ylurea
  • MW: 395.413 | Formula: C23H17N5O2
  • H donors: 3 H acceptors: 3 LogP: 4.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc2c1cccc2)Nc1ccc(cc1)c1coc2c1c(N)ncn2
  • InChi: 1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
  • InChiKey: KFCVIOJQUCKOOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(1-naphthyl)urea
  • 1-[4-(4-amino-5-furo[2,3-d]pyrimidinyl)phenyl]-3-(1-naphthalenyl)urea
  • 1-[4-(4-azanylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-yl-urea
  • 3-[4-(4-aminofuro[5,4-d]pyrimidin-5-yl)phenyl]-1-naphthalen-1-ylurea
  • 3-[4-(4-aminofuro[5,4-d]pyrimidin-5-yl)phenyl]-1-(1-naphthyl)urea
  • 3-[4-(4-amino-5-furo[5,4-d]pyrimidinyl)phenyl]-1-(1-naphthyl)urea
  • 3-[4-(4-aminofuro[5,4-d]pyrimidin-5-yl)phenyl]-1-naphthalen-1-yl-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TEK tyrosine kinase, endothelial Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 1 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 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
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 neuroglian 0.0018 0.0073 0.0223
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.4455 0.4455
Echinococcus multilocularis netrin receptor unc 5 0.0031 0.0514 0.1574
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4455 0.4455
Trypanosoma brucei ribonuclease H1 0.0023 0.0243 0.0243
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0016 0.0013 0.004
Echinococcus multilocularis Ankyrin 0.0026 0.0359 0.1098
Entamoeba histolytica DNA repair and recombination protein, putative 0.0112 0.3268 1
Treponema pallidum ribonuclease H (rnhA) 0.0023 0.0243 0.5
Schistosoma mansoni phosphoglucomutase 0.0023 0.0243 0.0744
Echinococcus granulosus ribonuclease H1 0.0023 0.0243 0.0744
Brugia malayi Fibronectin type III domain containing protein 0.0018 0.0098 0.0135
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0135
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0135
Schistosoma mansoni netrin receptor unc5 0.0031 0.0514 0.1574
Schistosoma mansoni DNA polymerase gamma 0.0101 0.2912 0.891
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.5018 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0228 0.0314
Schistosoma mansoni phosphoglucomutase 0.0023 0.0243 0.0744
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.0107 0.0326
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0359 0.0493
Brugia malayi RNase H family protein 0.0023 0.0243 0.0334
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0112 0.3268 0.3268
Schistosoma mansoni hypothetical protein 0.0085 0.236 0.7221
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0954 0.0954
Echinococcus granulosus netrin receptor unc 5 0.0031 0.0514 0.1574
Echinococcus granulosus death domain containing protein 0.0026 0.0359 0.1098
Echinococcus granulosus roundabout 2 0.0027 0.0376 0.115
Loa Loa (eye worm) hypothetical protein 0.0077 0.2093 0.2877
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0112 0.3268 1
Trypanosoma brucei unspecified product 0.0025 0.0309 0.0309
Trypanosoma brucei ingi protein (ORF1) 0.0025 0.0309 0.0309
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 1 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0023 0.0243 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0514 0.0707
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0026 0.0359 0.1098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0228 0.0314
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0077 0.2093 0.3094
Giardia lamblia Rrm3p helicase 0.0112 0.3268 1
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0024 0.0305 0.0305
Brugia malayi DNA polymerase alpha catalytic subunit 0.0045 0.1019 0.1401
Onchocerca volvulus 0.0208 0.6555 0.9691
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0954 0.0954
Schistosoma mansoni hypothetical protein 0.0112 0.3268 1
Brugia malayi RNase H family protein 0.0023 0.0243 0.0334
Brugia malayi RNase H family protein 0.0023 0.0243 0.0334
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0024 0.0305 0.0935
Loa Loa (eye worm) hypothetical protein 0.0101 0.2912 0.4003
Brugia malayi hypothetical protein 0.0018 0.0098 0.0135
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0954 0.0954
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0309 0.0309
Trichomonas vaginalis ribonuclease H1, putative 0.0023 0.0243 0.0744
Toxoplasma gondii ribonuclease HI protein 0.0023 0.0243 0.2076
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0112 0.3268 0.3268
Echinococcus granulosus DNA polymerase subunit gamma 0.0101 0.2912 0.891
Giardia lamblia Ribonuclease H 0.0023 0.0243 0.0744
Leishmania major ribonuclease H1, putative 0.0023 0.0243 0.0243
Brugia malayi DNA polymerase I family protein 0.0101 0.2912 0.4003
Loa Loa (eye worm) hypothetical protein 0.0026 0.0359 0.0493
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0045 0.1019 0.87
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0056 0.1379 0.422
Trichomonas vaginalis DNA polymerase II, putative 0.0024 0.0305 0.0935
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0025 0.0309 0.0309
Schistosoma mansoni phosphoglucomutase 0.0023 0.0243 0.0744
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0026 0.0359 0.1098
Trypanosoma cruzi ribonuclease H1, putative 0.0023 0.0243 0.0243
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0016 0.0013 1
Schistosoma mansoni hypothetical protein 0.0026 0.0359 0.1098
Brugia malayi Protein kinase domain containing protein 0.0026 0.0359 0.0493
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 1 1
Brugia malayi Uncoordinated protein 44 0.0026 0.0359 0.0493
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0021 0.0187 0.0573
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0112 0.3268 0.3268
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0056 0.1379 0.422
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0135
Loa Loa (eye worm) hypothetical protein 0.0026 0.0359 0.0493
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0112 0.3268 0.3268
Echinococcus granulosus neuroglian 0.0018 0.0073 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.3268 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.0098 0.0135
Schistosoma mansoni cell adhesion molecule 0.0023 0.0254 0.0777
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0954 0.0954
Schistosoma mansoni ankyrin 23/unc44 0.0026 0.0359 0.1098
Echinococcus granulosus twitchin 0.0018 0.0073 0.0223
Onchocerca volvulus Netrin receptor homolog 0.003 0.0481 0.0711
Echinococcus multilocularis ribonuclease H1 0.0023 0.0243 0.0744
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0112 0.3268 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.023 0.7274 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0026 0.0359 0.1098
Mycobacterium ulcerans hypothetical protein 0.0163 0.5018 0.5
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0305 0.0305
Brugia malayi Death domain containing protein 0.0026 0.0359 0.0493
Toxoplasma gondii hypothetical protein 0.005 0.1171 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0112 0.3268 0.3268
Giardia lamblia DNA polymerase alpha subunit A 0.0047 0.1087 0.3325
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0056 0.1379 0.422
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.1277 0.1277
Schistosoma mansoni nephrin 0.0022 0.022 0.0674
Plasmodium vivax DNA polymerase alpha, putative 0.0045 0.1019 1
Trypanosoma brucei RNA helicase, putative 0.0085 0.236 0.236
Echinococcus multilocularis roundabout 2 0.0027 0.0376 0.115
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0112 0.3268 0.3268
Loa Loa (eye worm) TK/KIN16 protein kinase 0.023 0.7274 1
Onchocerca volvulus Tyrosine kinase homolog 0.0214 0.6763 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0112 0.3268 0.3268
Loa Loa (eye worm) hypothetical protein 0.0019 0.0107 0.0146
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0305 0.0305
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0112 0.3268 1
Echinococcus multilocularis hypothetical protein 0.0101 0.2912 0.891
Echinococcus granulosus Ankyrin 0.0026 0.0359 0.1098
Trypanosoma cruzi ribonuclease H1, putative 0.0023 0.0243 0.0243
Onchocerca volvulus Ribonuclease H1 homolog 0.0023 0.0243 0.036
Trypanosoma brucei ingi protein (ORF1) 0.0025 0.0309 0.0309
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4455 0.4455

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -6.74 Inhibition of human Tie2 by HTRF method ChEMBL. 17276055
IC50 (binding) = -6.35 Inhibition of human VEGFR2 by HTRF method ChEMBL. 17276055
Log IC50 (binding) = 6.35 Inhibition of human VEGFR2 by HTRF method ChEMBL. 17276055
Log IC50 (binding) = 6.74 Inhibition of human Tie2 by HTRF method ChEMBL. 17276055

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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