Detailed information for compound 341325

Basic information

Technical information
  • TDR Targets ID: 341325
  • Name: 4-[4-(4-tert-butylanilino)phthalazin-1-yl]ben zamide
  • MW: 396.484 | Formula: C25H24N4O
  • H donors: 2 H acceptors: 3 LogP: 5.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C25H24N4O/c1-25(2,3)18-12-14-19(15-13-18)27-24-21-7-5-4-6-20(21)22(28-29-24)16-8-10-17(11-9-16)23(26)30/h4-15H,1-3H3,(H2,26,30)(H,27,29)
  • InChiKey: FIQNADOCRLODMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(4-tert-butylanilino)-1-phthalazinyl]benzamide
  • 4-[4-[(4-tert-butylphenyl)amino]phthalazin-1-yl]benzamide
  • 4-[4-[(4-tert-butylphenyl)amino]-1-phthalazinyl]benzamide
  • A3870/0164436
  • ZINC04624188

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
Onchocerca volvulus 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
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 retinoic acid receptor RXR 0.0148 0.0574 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.0574 1
Brugia malayi conserved hypotetical protein 0.007 0.0246 0.0246
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.0574 1
Brugia malayi hypothetical protein 0.007 0.0246 0.0246
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.007 0.0246 0.4283
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0148 0.0574 0.0336
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0148 0.0574 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.007 0.0246 0.0246
Echinococcus granulosus Nuclear hormone receptor HR96 0.007 0.0246 0.4283
Onchocerca volvulus Bile acid receptor homolog 0.2391 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.007 0.0246 0.4283
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Schistosoma mansoni nuclear receptor nhr-48 0.007 0.0246 0.4283
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Schistosoma mansoni nuclear receptor 0.007 0.0246 0.4283
Echinococcus multilocularis FTZ F1 alpha 0.0148 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Schistosoma mansoni steroid hormone receptor ad4bp 0.0148 0.0574 1
Brugia malayi hypothetical protein 0.0078 0.0281 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0148 0.0574 0.0574
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0148 0.0574 1
Brugia malayi nuclear receptor NHR-88 0.0148 0.0574 0.0574
Loa Loa (eye worm) nuclear hormone receptor 0.007 0.0246 0.0246
Schistosoma mansoni zinc finger protein 0.007 0.0246 0.4283
Brugia malayi ecdysone receptor 0.007 0.0246 0.0246
Echinococcus granulosus Nuclear hormone receptor HR96 0.007 0.0246 0.4283
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0015
Brugia malayi nuclear receptor NHR-88 0.007 0.0246 0.0246
Brugia malayi tailless protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0027
Echinococcus granulosus nuclear receptor nhr 48 0.007 0.0246 0.4283
Brugia malayi hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.0574 0.0574
Brugia malayi hypothetical protein 0.0078 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0078 0.0281 0.0281
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.0246 0.4283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.0574 0.0574
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0078 0.0281 0.4895
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0574 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.067 0.0434
Onchocerca volvulus 0.0148 0.0574 0.0336
Loa Loa (eye worm) steroid hormone receptor 0.0148 0.0574 0.0574
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0148 0.0574 0.0574
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0148 0.0574 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.007 0.0246 0.4283
Brugia malayi Steroid receptor seven-up type 2 0.0148 0.0574 0.0574
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.072 0.072
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0148 0.0574 0.0574
Schistosoma mansoni nuclear receptor 0.007 0.0246 0.4283
Loa Loa (eye worm) DR-78 0.007 0.0246 0.0246
Brugia malayi steroid hormone receptor 0.0148 0.0574 0.0574
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0148 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Echinococcus multilocularis ecdysone induced protein 78C 0.0148 0.0574 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.0574 0.0574
Onchocerca volvulus 0.0167 0.0653 0.0418
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0148 0.0574 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0281 0.4895
Brugia malayi nuclear hormone receptor 0.007 0.0246 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0148 0.0574 0.0574
Schistosoma mansoni nephrin 0.0014 0.0012 0.021
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.0574 1
Schistosoma mansoni nuclear hormone receptor 0.007 0.0246 0.4283
Loa Loa (eye worm) hypothetical protein 0.0078 0.0281 0.0281
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0148 0.0574 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0148 0.0574 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0574 1
Echinococcus granulosus twitchin 0.0014 0.0012 0.021
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Brugia malayi Nuclear hormone receptor E75 0.007 0.0246 0.0246
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.007 0.0246 0.4283
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0281 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0148 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0078 0.0281 0.0281
Brugia malayi nuclear receptor NHR-67 0.007 0.0246 0.0246
Brugia malayi nuclear hormone receptor family member nhr-6 0.007 0.0246 0.0246
Echinococcus multilocularis roundabout 2 0.0018 0.0027 0.0478
Echinococcus multilocularis nuclear receptor nhr 48 0.007 0.0246 0.4283
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0148 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0148 0.0574 0.0574
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0078 0.0281 0.4895
Echinococcus multilocularis Nuclear hormone receptor HR96 0.007 0.0246 0.4283
Echinococcus multilocularis neuroglian 0.0014 0.0012 0.021
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0148 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0078 0.0281 0.0281
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0148 0.0574 1
Schistosoma mansoni nuclear hormone receptor 0.007 0.0246 0.4283
Brugia malayi Nuclear hormone receptor E75 0.007 0.0246 0.0246
Brugia malayi nuclear receptor RXR 0.0078 0.0281 0.0281
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0148 0.0574 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0148 0.0574 0.0574
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.072 0.072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0148 0.0574 0.0574
Brugia malayi nuclear hormone receptor 0.0148 0.0574 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.0246 0.4283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.0574 0.0574
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0148 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0078 0.0281 0.0281
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0078 0.0281 0.4895
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Echinococcus granulosus thyroid hormone receptor alpha 0.007 0.0246 0.4283
Echinococcus granulosus neuroglian 0.0014 0.0012 0.021
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0148 0.0574 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.007 0.0246 0.0246
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0148 0.0574 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.007 0.0246 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0148 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.0574 0.0574
Schistosoma mansoni coup transcription factor 0.0148 0.0574 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0148 0.0574 1
Schistosoma mansoni nuclear hormone receptor 0.0148 0.0574 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0148 0.0574 0.0574
Schistosoma mansoni RAR-like nuclear receptor 0.0148 0.0574 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0148 0.0574 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Echinococcus multilocularis Nuclear hormone receptor HR96 0.007 0.0246 0.4283
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0574 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0078 0.0281 0.0281
Brugia malayi orphan nuclear receptor NR2E1 0.007 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.007 0.0246 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0148 0.0574 0.0574
Schistosoma mansoni cell adhesion molecule 0.0015 0.0015 0.0268
Brugia malayi photoreceptor-specific nuclear receptor 0.0148 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.2391 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0148 0.0574 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0148 0.0574 1
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.0574 0.0574
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0281 0.0281
Brugia malayi nuclear hormone receptor family member odr-7 0.007 0.0246 0.0246
Echinococcus granulosus FTZ F1 alpha 0.0148 0.0574 1
Brugia malayi nuclear receptor RXR 0.007 0.0246 0.0246
Echinococcus granulosus ecdysone induced protein 78C 0.0148 0.0574 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.007 0.0246 0.4283
Echinococcus granulosus roundabout 2 0.0018 0.0027 0.0478
Loa Loa (eye worm) hypothetical protein 0.0148 0.0574 0.0574
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0015 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0148 0.0574 0.0574

Activities

Activity type Activity value Assay description Source Reference
ED50 (binding) = 0.21 uM Inhibition of FGFR1/VEGFR2 chimeric construct expressed in HEK293 cells by ELISA ChEMBL. 19101155
ED50 (functional) = 0.25 uM Inhibition of VEGF-stimulated HUVEC cell proliferation treated before 2 hrs of VEGF challenge assessed after 3 days by [3H]thymidine incorporation assay ChEMBL. 19101155
IC50 (binding) = 0.078 uM Inhibition of Vascular endothelial growth factor receptor 2 kinase phosphorylation of pGAT-biotin peptide ChEMBL. 16143524
IC50 (binding) = 0.078 uM Inhibition of Vascular endothelial growth factor receptor 2 kinase phosphorylation of pGAT-biotin peptide ChEMBL. 16143524
IC50 (binding) = 0.078 uM Inhibition of VEGFR2 by HTRF method ChEMBL. 19101155
Inhibition (binding) = 73 % Percent inhibition of Vascular endothelial growth factor receptor 1 at 10 uM ChEMBL. 16143524
Inhibition (binding) = 73 % Percent inhibition of Vascular endothelial growth factor receptor 1 at 10 uM ChEMBL. 16143524
Inhibition (binding) = 93 % Percent inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ChEMBL. 16143524
Inhibition (binding) = 93 % Percent inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ChEMBL. 16143524

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

2 literature references were collected for this gene.

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