Detailed information for compound 152007

Basic information

Technical information
  • TDR Targets ID: 152007
  • Name: 6-nitro-N-phenylquinazolin-4-amine
  • MW: 266.255 | Formula: C14H10N4O2
  • H donors: 1 H acceptors: 4 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)c(ncn2)Nc1ccccc1
  • InChi: 1S/C14H10N4O2/c19-18(20)11-6-7-13-12(8-11)14(16-9-15-13)17-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
  • InChiKey: LJMGWHXMJIZVDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-nitro-N-phenyl-quinazolin-4-amine
  • 6-nitro-N-phenyl-4-quinazolinamine
  • (6-nitroquinazolin-4-yl)-phenyl-amine
  • PD153035 Analog 12
  • nchembio866-comp23

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
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
Treponema pallidum sodium- and chloride- dependent transporter 0.0245 0.1988 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.053 0.0743
Schistosoma mansoni nuclear receptor nhr-48 0.0046 0.0045 0.0063
Loa Loa (eye worm) DR-78 0.0046 0.0045 0.0047
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Onchocerca volvulus Bile acid receptor homolog 0.0098 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Toxoplasma gondii hypothetical protein 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0245 0.1988 0.2094
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0052 0.0099 0.0149
Brugia malayi nuclear hormone receptor family member nhr-6 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0098 0.055 0.0579
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Schistosoma mansoni RAR-like nuclear receptor 0.0098 0.055 0.077
Schistosoma mansoni hypothetical protein 0.0123 0.0795 0.1113
Onchocerca volvulus 0.0098 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0104
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0045 0.0063
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0245 0.1988 0.2784
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0098 0.055 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0098 0.055 0.0579
Echinococcus multilocularis nuclear receptor nhr 48 0.0046 0.0045 0.0067
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0098 0.055 0.077
Echinococcus multilocularis geminin 0.0123 0.0795 0.1198
Echinococcus multilocularis insulin receptor 0.0058 0.0157 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0098 0.055 0.0579
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.072 0.6635 1
Brugia malayi ecdysone receptor 0.0046 0.0045 0.0047
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0046 0.0045 0.0063
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Brugia malayi Nuclear hormone receptor-like 1 0.0098 0.055 0.0579
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0045 0.0067
Schistosoma mansoni thyroid hormone receptor 0.0098 0.055 0.077
Brugia malayi Protein kinase domain containing protein 0.0058 0.0157 0.0165
Onchocerca volvulus 0.0046 0.0045 0.0045
Echinococcus granulosus insulin receptor 0.0058 0.0157 0.0219
Plasmodium falciparum transporter, putative 0.0042 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0098 0.055 0.077
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0104
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0098 0.055 0.077
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Echinococcus multilocularis ecdysone induced protein 78C 0.0098 0.055 0.0829
Schistosoma mansoni steroid hormone receptor ad4bp 0.0098 0.055 0.077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0098 0.055 0.0579
Schistosoma mansoni coup transcription factor 0.0098 0.055 0.077
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0099 0.0104
Brugia malayi hypothetical protein 0.0046 0.0045 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0098 0.055 0.0579
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0046 0.0045 0.0067
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.055 0.0829
Echinococcus granulosus geminin 0.0123 0.0795 0.1113
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0104
Schistosoma mansoni tyrosine kinase 0.0096 0.053 0.0743
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.054 0.0757
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.1356 0.1428
Toxoplasma gondii hypothetical protein 0.0042 0 0.5
Schistosoma mansoni tyrosine kinase 0.0097 0.054 0.0757
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) steroid hormone receptor 0.0098 0.055 0.0579
Echinococcus multilocularis thyroid hormone receptor alpha 0.0098 0.055 0.0829
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0098 0.055 0.077
Echinococcus multilocularis 0.0056 0.0139 0.0209
Brugia malayi nuclear receptor NHR-88 0.0046 0.0045 0.0047
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0045 0.0067
Loa Loa (eye worm) serotonin transporter b 0.0245 0.1988 0.2094
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0771 0.7141 1
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0045 0.0063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.055 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0098 0.055 0.0579
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0245 0.1988 0.2784
Plasmodium vivax hypothetical protein, conserved 0.0042 0 0.5
Schistosoma mansoni nuclear receptor 0.0046 0.0045 0.0063
Plasmodium falciparum amino acid transporter, putative 0.0042 0 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0046 0.0045 0.0047
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.055 0.077
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0042 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.055 0.0579
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0098 0.055 0.0579
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0098 0.055 0.0829
Brugia malayi nuclear receptor RXR 0.0052 0.0099 0.0104
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.1356 0.2043
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0045 0.0063
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0045 0.0045
Schistosoma mansoni tyrosine kinase 0.0097 0.054 0.0757
Brugia malayi nuclear hormone receptor family member odr-7 0.0046 0.0045 0.0047
Loa Loa (eye worm) norepinephrine transporter 0.0245 0.1988 0.2094
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0098 0.055 0.077
Onchocerca volvulus 0.0046 0.0045 0.0045
Echinococcus granulosus ecdysone induced protein 78C 0.0098 0.055 0.077
Schistosoma mansoni nuclear hormone receptor 0.0098 0.055 0.077
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Schistosoma mansoni zinc finger protein 0.0046 0.0045 0.0063
Brugia malayi nuclear receptor NHR-88 0.0098 0.055 0.0579
Schistosoma mansoni thyroid hormone receptor 0.0098 0.055 0.077
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0098 0.055 0.077
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0046 0.0045 0.0063
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0045 0.0047
Schistosoma mansoni tyrosine kinase 0.0058 0.0157 0.0219
Loa Loa (eye worm) hypothetical protein 0.0245 0.1988 0.2094
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0098 0.055 0.0579
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0045 0.0067
Schistosoma mansoni hypothetical protein 0.0123 0.0795 0.1113
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Loa Loa (eye worm) TK/INSR protein kinase 0.0058 0.0157 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.055 0.0579
Brugia malayi nuclear hormone receptor 0.1012 0.9495 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0098 0.055 0.0829
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.1356 0.1428
Brugia malayi nuclear receptor RXR 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0098 0.055 0.0579
Brugia malayi nuclear receptor NHR-67 0.0046 0.0045 0.0047
Schistosoma mansoni tyrosine kinase 0.0096 0.053 0.0743
Schistosoma mansoni tyrosine kinase 0.018 0.1356 0.1899
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear receptor NHR-67 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear hormone receptor 0.0046 0.0045 0.0047
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.054 0.0814
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0052 0.0099 0.0104
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.054 0.0757
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1012 0.9495 1
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0045 0.0047
Brugia malayi hypothetical protein 0.0052 0.0099 0.0104
Brugia malayi steroid hormone receptor 0.0098 0.055 0.0579
Echinococcus granulosus FTZ F1 alpha 0.0098 0.055 0.077
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0104
Loa Loa (eye worm) hypothetical protein 0.0966 0.9043 0.9525
Loa Loa (eye worm) solute carrier family 6 member 4 0.0245 0.1988 0.2094
Echinococcus multilocularis serotonin transporter 0.0245 0.1988 0.2996
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0098 0.055 0.077
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Brugia malayi Steroid receptor seven-up type 2 0.0098 0.055 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.055 0.0579
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0046 0.0045 0.0063
Brugia malayi orphan nuclear receptor NR2E1 0.0046 0.0045 0.0047
Brugia malayi conserved hypotetical protein 0.0046 0.0045 0.0047
Brugia malayi ecdysteroid receptor 0.0098 0.055 0.0579
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0099 0.0104
Echinococcus granulosus epidermal growth factor receptor 0.018 0.1356 0.1899
Schistosoma mansoni tyrosine kinase 0.0058 0.0157 0.0219
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Schistosoma mansoni retinoic acid receptor RXR 0.0771 0.7141 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0045 0.0063
Brugia malayi hypothetical protein 0.0052 0.0099 0.0104
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0098 0.055 0.0829
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.055 0.077
Echinococcus granulosus serotonin transporter 0.0245 0.1988 0.2784
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0052 0.0099 0.0138
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0052 0.0099 0.0138
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0098 0.055 0.077
Echinococcus granulosus thyroid hormone receptor alpha 0.0046 0.0045 0.0063
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.055 0.0579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0098 0.055 0.0579
Echinococcus granulosus nuclear receptor nhr 48 0.0046 0.0045 0.0063
Onchocerca volvulus Protein ultraspiracle homolog 0.0098 0.055 0.055
Brugia malayi tailless protein 0.0046 0.0045 0.0047
Schistosoma mansoni nuclear receptor 0.0046 0.0045 0.0063
Loa Loa (eye worm) hypothetical protein 0.0098 0.055 0.0579
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.055 0.0829
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Onchocerca volvulus 0.0245 0.1988 0.1988
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0045 0.0063
Echinococcus multilocularis FTZ F1 alpha 0.0098 0.055 0.0829
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0098 0.055 0.0579
Brugia malayi hypothetical protein 0.0046 0.0045 0.0047
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0045 0.0045
Brugia malayi photoreceptor-specific nuclear receptor 0.0098 0.055 0.0579
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0058 0.0157 0.0219
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0104
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0098 0.055 0.0829
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0098 0.055 0.077
Brugia malayi nuclear hormone receptor 0.0098 0.055 0.0579
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.0157 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0098 0.055 0.0579
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0098 0.055 0.077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.055 0.0579
Loa Loa (eye worm) hypothetical protein 0.0046 0.0045 0.0047
Plasmodium vivax amine transporter, putative 0.0042 0 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0052 0.0099 0.0138
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0245 0.1988 0.2094
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0098 0.055 0.0579
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0245 0.1988 0.2094

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) Antileishmanial activity against Leishmania major promastigotes after 72 hrs by Neubauer counting chamber based microscopy ChEMBL. 26619389
IC50 (binding) = 5000 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816
IC50 (binding) = 5000 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816

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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