Detailed information for compound 300885

Basic information

Technical information
  • TDR Targets ID: 300885
  • Name: N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-(3-m orpholin-4-ylpropoxy)quinazolin-4-amine
  • MW: 458.938 | Formula: C23H27ClN4O4
  • H donors: 1 H acceptors: 2 LogP: 3.98 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cc(OC)ccc1Cl
  • InChi: 1S/C23H27ClN4O4/c1-29-16-4-5-18(24)20(12-16)27-23-17-13-21(30-2)22(14-19(17)25-15-26-23)32-9-3-6-28-7-10-31-11-8-28/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,26,27)
  • InChiKey: CVOJFSBJHSHLQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chloro-5-methoxy-phenyl)-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine
  • N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-(3-morpholinopropoxy)-4-quinazolinamine
  • N-(2-chloro-5-methoxy-phenyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
  • (2-chloro-5-methoxy-phenyl)-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine
  • Methoxy Aniline 5

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK/KIN16 protein kinase 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
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
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 tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Brugia malayi nuclear hormone receptor family member odr-7 0.0633 0.4672 0.4672
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0042 0.0231 0.0231
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1342 1 1
Schistosoma mansoni hypothetical protein 0.0339 0.2465 0.2465
Echinococcus granulosus neuroglian 0.0014 0.0021 0.0021
Brugia malayi nuclear receptor NHR-67 0.0633 0.4672 0.4672
Brugia malayi Steroid receptor seven-up type 2 0.1342 1 1
Schistosoma mansoni coup transcription factor 0.1342 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0633 0.4672 0.4672
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1342 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.1342 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0162 0.0162
Echinococcus granulosus tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Brugia malayi nuclear receptor NHR-88 0.0633 0.4672 0.4672
Plasmodium falciparum thioredoxin reductase 0.0095 0.0627 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Brugia malayi Nuclear hormone receptor E75 0.0633 0.4672 0.4672
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Brugia malayi nuclear hormone receptor 0.0633 0.4672 0.4672
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1342 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1342 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0633 0.4672 0.3968
Echinococcus granulosus tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Echinococcus granulosus nuclear receptor nhr 48 0.0633 0.4672 0.4672
Brugia malayi nuclear hormone receptor family member nhr-6 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1342 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.0627 0.0601
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1342 1 1
Loa Loa (eye worm) TK protein kinase 0.0042 0.0231 0.0205
Echinococcus granulosus tyrosine protein kinase Blk 0.0042 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0162 0.5
Echinococcus multilocularis geminin 0.0339 0.2465 0.2465
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0633 0.4672 0.4672
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0283 0.0283
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.0627 0.0627
Echinococcus granulosus roundabout 2 0.0018 0.0049 0.0049
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1342 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Echinococcus granulosus geminin 0.0339 0.2465 0.2465
Brugia malayi nuclear receptor RXR 0.0709 0.5243 0.5243
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0283 0.0283
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0216 0.1538 0.8837
Echinococcus granulosus FTZ F1 alpha 0.1342 1 1
Brugia malayi SRC-1 0.0046 0.0265 0.0265
Echinococcus granulosus tyrosine protein kinase Src64B 0.0046 0.0265 0.0265
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0046 0.0265 0.0265
Schistosoma mansoni steroid hormone receptor ad4bp 0.1342 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0633 0.4672 0.4658
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1342 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0162 0.0162
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.024 0.1719 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1342 1 1
Brugia malayi glutathione reductase 0.0095 0.0627 0.0627
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.0197 0.0197
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0214 0.0214
Schistosoma mansoni tyrosine kinase 0.0046 0.0265 0.0265
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0231 0.0231
Entamoeba histolytica protein kinase, putative 0.0038 0.0197 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0162 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.1342 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1342 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0046 0.0265 0.0265
Echinococcus multilocularis tyrosine protein kinase Srms 0.0042 0.0231 0.0231
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1342 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0633 0.4672 0.4672
Schistosoma mansoni nuclear hormone receptor 0.0633 0.4672 0.4672
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1342 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0046 0.0265 0.0265
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.0627 0.2985
Onchocerca volvulus Protein ultraspiracle homolog 0.1342 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1342 1 1
Brugia malayi ecdysone receptor 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0709 0.5243 0.523
Brugia malayi nuclear receptor RXR 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0709 0.5243 0.523
Mycobacterium tuberculosis Probable reductase 0.0216 0.1538 0.8837
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0633 0.4672 0.4672
Brugia malayi nuclear receptor NHR-88 0.1342 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0709 0.5243 0.5243
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.0627 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0283 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1342 1 1
Echinococcus multilocularis roundabout 2 0.0018 0.0049 0.0049
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0046 0.0265 0.0265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0283 0.0283
Loa Loa (eye worm) nuclear hormone receptor 0.0633 0.4672 0.4658
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.1297 0.1273
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1342 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0096 0.0096
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0046 0.0265 0.0265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0283 0.0283
Mycobacterium tuberculosis Probable dehydrogenase 0.0216 0.1538 0.8837
Onchocerca volvulus 0.0633 0.4672 0.3968
Brugia malayi hypothetical protein 0.0709 0.5243 0.5243
Toxoplasma gondii thioredoxin reductase 0.0095 0.0627 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1342 1 1
Schistosoma mansoni nephrin 0.0014 0.0021 0.0021
Echinococcus multilocularis thyroid hormone receptor alpha 0.1342 1 1
Schistosoma mansoni nuclear hormone receptor 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0709 0.5243 0.523
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0162 0.0162
Brugia malayi photoreceptor-specific nuclear receptor 0.1342 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0162 0.5
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0162 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0633 0.4672 0.4672
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0633 0.4672 0.4672
Schistosoma mansoni RAR-like nuclear receptor 0.1342 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0283 0.0283
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0027 0.0027
Brugia malayi protein-tyrosine kinase 0.0042 0.0231 0.0231
Loa Loa (eye worm) DR-78 0.0633 0.4672 0.4658
Leishmania major trypanothione reductase 0.0095 0.0627 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0096 0.0096
Echinococcus granulosus twitchin 0.0014 0.0021 0.0021
Trypanosoma brucei trypanothione reductase 0.0095 0.0627 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1342 1 1
Brugia malayi hypothetical protein 0.0633 0.4672 0.4672
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1342 1 1
Loa Loa (eye worm) SRC-1 0.0046 0.0265 0.0238
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.0197 0.0197
Loa Loa (eye worm) TK protein kinase 0.0038 0.0197 0.017
Echinococcus multilocularis tyrosine protein kinase Blk 0.0042 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Onchocerca volvulus 0.0633 0.4672 0.3968
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0633 0.4672 0.4672
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0633 0.4672 0.4672
Schistosoma mansoni zinc finger protein 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.1297 0.1297
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1342 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0162 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0162 0.5
Echinococcus granulosus tyrosine kinase 0.0042 0.0231 0.0231
Brugia malayi Nuclear hormone receptor E75 0.0633 0.4672 0.4672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1342 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1342 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0633 0.4672 0.4658
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0709 0.5243 0.523
Plasmodium falciparum glutathione reductase 0.0095 0.0627 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0214 0.0214
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0633 0.4672 0.4672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.0027 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1342 1 1
Schistosoma mansoni thyroid hormone receptor 0.1342 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0633 0.4672 0.4672
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0046 0.0265 0.0265
Plasmodium vivax glutathione reductase, putative 0.0095 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Schistosoma mansoni hypothetical protein 0.0339 0.2465 0.2465
Echinococcus multilocularis nuclear receptor nhr 48 0.0633 0.4672 0.4672
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0022
Echinococcus multilocularis ecdysone induced protein 78C 0.1342 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0633 0.4672 0.4672
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1342 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0283 0.0283
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0709 0.5243 0.5243
Brugia malayi Nuclear hormone receptor-like 1 0.0709 0.5243 0.5243
Schistosoma mansoni nuclear hormone receptor 0.0633 0.4672 0.4672
Brugia malayi Thioredoxin reductase 0.0095 0.0627 0.0627
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1342 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.1342 1 1
Echinococcus multilocularis neuroglian 0.0014 0.0021 0.0021
Schistosoma mansoni tyrosine kinase 0.0046 0.0265 0.0265
Loa Loa (eye worm) glutathione reductase 0.0095 0.0627 0.0601
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1342 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1342 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.024 0.1719 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Brugia malayi tailless protein 0.0633 0.4672 0.4672
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0633 0.4672 0.3968
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.0627 1
Echinococcus multilocularis FTZ F1 alpha 0.1342 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1342 1 1
Treponema pallidum NADH oxidase 0.0033 0.0162 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.024 0.1719 1
Loa Loa (eye worm) hypothetical protein 0.0709 0.5243 0.523
Echinococcus granulosus tyrosine protein kinase Fyn 0.0046 0.0265 0.0265
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1342 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1342 1 1
Brugia malayi hypothetical protein 0.0633 0.4672 0.4672
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0709 0.5243 0.5243
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.1342 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0709 0.5243 0.5243
Brugia malayi hypothetical protein 0.0709 0.5243 0.5243
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.1206 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1342 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0216 0.1538 0.8837
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0046 0.0265 0.0265
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0216 0.1538 0.8837
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0162 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0046 0.0265 0.0265
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1342 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0283 0.0257
Brugia malayi steroid hormone receptor 0.1342 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.024 0.1719 1
Brugia malayi conserved hypotetical protein 0.0633 0.4672 0.4672
Onchocerca volvulus 0.1342 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0046 0.0265 0.0265
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0162 0.5
Schistosoma mansoni nuclear receptor 0.0633 0.4672 0.4672
Schistosoma mansoni thyroid hormone receptor 0.1342 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0046 0.0265 0.0265
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0633 0.4672 0.4672
Onchocerca volvulus Bile acid receptor homolog 0.1342 1 1
Brugia malayi nuclear hormone receptor 0.1342 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0283 0.0283
Schistosoma mansoni nuclear receptor nhr-48 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Brugia malayi orphan nuclear receptor NR2E1 0.0633 0.4672 0.4672
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1342 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1342 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0162 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0709 0.5243 0.5243
Schistosoma mansoni nuclear receptor 0.0633 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0633 0.4672 0.4658
Loa Loa (eye worm) steroid hormone receptor 0.1342 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0216 0.1538 0.8837
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1342 1 1
Loa Loa (eye worm) hypothetical protein 0.0709 0.5243 0.523
Echinococcus granulosus Nuclear hormone receptor HR96 0.0633 0.4672 0.4672

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.01 uM In vitro inhibitory concentration of the compound against src-tyrosine kinase ChEMBL. 14761189
IC50 (binding) = 0.01 uM In vitro inhibitory concentration of the compound against src-tyrosine kinase ChEMBL. 14761189
IC50 (functional) = 0.31 uM Inhibition of c-Src transfected 3T3 cell proliferation ChEMBL. 14761189
IC50 (functional) = 0.31 uM In vitro inhibitory concentration against proliferation of A459 cell line. ChEMBL. 14761189
IC50 (functional) = 0.31 uM Inhibition of c-Src transfected 3T3 cell proliferation ChEMBL. 14761189
IC50 (functional) = 0.31 uM In vitro inhibitory concentration against proliferation of A459 cell line. ChEMBL. 14761189
IC50 (binding) = 1.18 uM In vitro inhibitory concentration against VEGF receptor 2. ChEMBL. 14761189
IC50 (binding) = 1.18 uM In vitro inhibitory concentration against VEGF receptor 2. ChEMBL. 14761189

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 14761189

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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