Detailed information for compound 1653875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 539.625 | Formula: C31H33N5O4
  • H donors: 3 H acceptors: 3 LogP: 4.55 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(OCc1ccccc1)NCc1ccc(cc1)c1n[nH]c(c1)NC(=O)c1ccc(cc1)OCCN1CCCC1
  • InChi: 1S/C31H33N5O4/c37-30(26-12-14-27(15-13-26)39-19-18-36-16-4-5-17-36)33-29-20-28(34-35-29)25-10-8-23(9-11-25)21-32-31(38)40-22-24-6-2-1-3-7-24/h1-3,6-15,20H,4-5,16-19,21-22H2,(H,32,38)(H2,33,34,35,37)
  • InChiKey: MWOBEOJMSDHMFO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 1 Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
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 sodium and chloride dependent glycine 0.0042 0.0304 0.0396
Onchocerca volvulus 0.0042 0.0304 0.0304
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.059 0.6334 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0304 0.0392
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Echinococcus granulosus metastasis associated protein 1 mta1 0.0026 0.0127 0.0164
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0042 0.0304 0.0396
Loa Loa (eye worm) hypothetical protein 0.006 0.0496 0.0496
Toxoplasma gondii aurora kinase 0.0068 0.0588 1
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0588 0.0588
Trypanosoma cruzi aurora B kinase, putative 0.0068 0.0588 1
Brugia malayi amine oxidase, flavin-containing family protein 0.006 0.0496 0.0511
Loa Loa (eye worm) hypothetical protein 0.0059 0.0484 0.0484
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0249 0.2582 1
Entamoeba histolytica protein kinase domain containing protein 0.0068 0.0588 0.5
Entamoeba histolytica protein kinase, putative 0.0068 0.0588 0.5
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0026 0.0127 0.0491
Loa Loa (eye worm) hypothetical protein 0.0249 0.2582 0.2582
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0304 0.0392
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0068 0.0588 1
Echinococcus multilocularis zinc finger protein 541 0.0026 0.0127 0.0165
Onchocerca volvulus CoRest homolog 0.0924 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0588 0.2276
Echinococcus granulosus roundabout 2 0.0059 0.0484 0.0625
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0304 0.0304
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0588 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0249 0.2582 0.5
Loa Loa (eye worm) serotonin transporter b 0.0249 0.2582 0.2582
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0304 0.1178
Schistosoma mansoni sodium/chloride dependent transporter 0.0043 0.031 0.1201
Echinococcus multilocularis SANT, DNA binding 0.0026 0.0127 0.0165
Loa Loa (eye worm) hypothetical protein 0.0107 0.1018 0.1018
Schistosoma mansoni amine oxidase 0.0054 0.0434 0.1682
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0588 0.0588
Schistosoma mansoni nephrin 0.005 0.0394 0.1524
Brugia malayi hypothetical protein 0.0054 0.0434 0.0447
Echinococcus granulosus lysine specific histone demethylase 1A 0.0054 0.0434 0.056
Echinococcus multilocularis roundabout 2 0.0059 0.0484 0.0631
Brugia malayi hypothetical protein 0.0042 0.0304 0.0313
Loa Loa (eye worm) hypothetical protein 0.0026 0.0127 0.0127
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0304 0.0313
Echinococcus multilocularis Immunoglobulin 0.0044 0.0322 0.042
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0304 0.1178
Echinococcus granulosus lysine specific histone demethylase 1A 0.0107 0.1018 0.1314
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0536 0.5738 1
Loa Loa (eye worm) hypothetical protein 0.0897 0.9711 0.9711
Brugia malayi serine/threonine-protein kinase 6 0.0068 0.0588 0.0605
Echinococcus multilocularis metastasis associated protein MTA1 0.0026 0.0127 0.0165
Echinococcus granulosus hypothetical protein 0.0719 0.7751 1
Plasmodium vivax amine transporter, putative 0.0042 0.0304 0.3847
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0304 0.0392
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0304 0.1178
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0304 0.0313
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Brugia malayi Serotonin receptor 0.0482 0.514 0.5293
Echinococcus granulosus REST corepressor 3 0.0026 0.0127 0.0164
Loa Loa (eye worm) solute carrier family 6 member 4 0.0249 0.2582 0.2582
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0068 0.0588 0.5
Entamoeba histolytica protein kinase, putative 0.0068 0.0588 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0712 0.767 1
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0434 0.6669
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Trypanosoma brucei aurora B kinase 0.0068 0.0588 0.5
Leishmania major protein kinase, putative 0.0068 0.0588 1
Echinococcus granulosus SANT DNA binding 0.0026 0.0127 0.0164
Schistosoma mansoni rest corepressor (corest) protein 0.0026 0.0127 0.0491
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0107 0.1018 0.3944
Toxoplasma gondii histone lysine-specific demethylase 0.0054 0.0434 0.4587
Brugia malayi Myb-like DNA-binding domain containing protein 0.0897 0.9711 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0068 0.0588 0.5
Onchocerca volvulus 0.0249 0.2582 0.2582
Loa Loa (eye worm) hypothetical protein 0.0054 0.0434 0.0434
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0068 0.0588 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0054 0.0434 0.6669
Echinococcus granulosus zinc finger protein 541 0.0026 0.0127 0.0164
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0249 0.2582 0.2659
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0054 0.0434 0.4587
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0588 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0042 0.0304 0.0396
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Brugia malayi SWIRM domain containing protein 0.0113 0.108 0.1113
Loa Loa (eye worm) TK/KIN16 protein kinase 0.043 0.4569 0.4569
Echinococcus granulosus serotonin transporter 0.0249 0.2582 0.3332
Brugia malayi ELM2 domain containing protein 0.0026 0.0127 0.0131
Echinococcus granulosus aurora kinase A 0.0068 0.0588 0.0758
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0026 0.0127 0.0165
Echinococcus granulosus metastasis associated protein MTA1 0.0026 0.0127 0.0164
Loa Loa (eye worm) hypothetical protein 0.0249 0.2582 0.2582
Echinococcus granulosus twitchin 0.0051 0.04 0.0516
Schistosoma mansoni rest corepressor (corest) protein 0.0026 0.0127 0.0491
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0304 0.3847
Brugia malayi hypothetical protein 0.0044 0.0322 0.0332
Echinococcus multilocularis 0.0054 0.0434 0.0566
Onchocerca volvulus 0.0375 0.3964 0.3964
Onchocerca volvulus 0.0042 0.0304 0.0304
Echinococcus granulosus mesoderm induction early response protein 1 0.0026 0.0127 0.0164
Loa Loa (eye worm) GATA zinc finger family protein 0.0026 0.0127 0.0127
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0588 0.5
Echinococcus granulosus neuroglian 0.005 0.0394 0.0508
Echinococcus granulosus Immunoglobulin 0.0044 0.0322 0.0416
Brugia malayi Immunoglobulin I-set domain containing protein 0.043 0.4569 0.4705
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0304 0.0313
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.0304 0.1178
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0042 0.0304 0.0396
Schistosoma mansoni vesicular amine transporter 0.0044 0.0322 0.1249
Plasmodium falciparum serine/threonine protein kinase, putative 0.0068 0.0588 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0042 0.0304 0.0392
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0054 0.0434 0.1682
Brugia malayi serine/threonine protein kinase 6 0.0068 0.0588 0.0605
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Plasmodium falciparum protoporphyrinogen oxidase 0.0054 0.0434 0.4587
Onchocerca volvulus 0.0113 0.108 0.108
Onchocerca volvulus Mesoderm induction early response 1 related homolog 0.0026 0.0127 0.0127
Echinococcus granulosus defective proboscis extension response 0.0044 0.0322 0.0416
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Schistosoma mansoni tyrosine kinase 0.0017 0.003 0.0116
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0434 0.6669
Brugia malayi Myb-like DNA-binding domain containing protein 0.0026 0.0127 0.0131
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Brugia malayi serine/threonine kinase 12 0.0068 0.0588 0.0605
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0044 0.0322 0.1249
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0107 0.1018 0.1328
Echinococcus multilocularis serotonin transporter 0.0249 0.2582 0.3367
Echinococcus multilocularis neuroglian 0.005 0.0394 0.0513
Loa Loa (eye worm) hypothetical protein 0.0249 0.2582 0.2582
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Onchocerca volvulus 0.0042 0.0304 0.0304
Echinococcus multilocularis rest corepressor (corest) protein 0.0026 0.0127 0.0165
Schistosoma mansoni amine oxidase 0.0054 0.0434 0.1682
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0054 0.0434 0.6669
Loa Loa (eye worm) hypothetical protein 0.0052 0.0413 0.0413
Onchocerca volvulus Tyrosine kinase homolog 0.0384 0.4065 0.4065
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0588 0.0588
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0304 0.0304
Echinococcus multilocularis aurora kinase A 0.0068 0.0588 0.0766
Echinococcus multilocularis mesoderm induction early response protein 1 0.0026 0.0127 0.0165
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0054 0.0434 0.4587
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.0322 0.0332
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0068 0.0588 0.0758
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.0304 0.0396
Schistosoma mansoni sodium/chloride dependent transporter 0.0249 0.2582 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0044 0.0322 0.1249
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0026 0.0127 0.0491
Loa Loa (eye worm) hypothetical protein 0.0113 0.108 0.108
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0413 0.0533
Brugia malayi ELM2 domain containing protein 0.0026 0.0127 0.0131
Schistosoma mansoni zinc finger protein 0.0026 0.0127 0.0491
Giardia lamblia Aurora kinase 0.0068 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0484 0.0484
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.0304 0.0313
Chlamydia trachomatis protoporphyrinogen oxidase 0.0054 0.0434 1
Echinococcus multilocularis Immunoglobulin 0.0044 0.0322 0.042
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0054 0.0434 0.5
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0054 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Schistosoma mansoni cell adhesion molecule 0.0052 0.0413 0.16
Loa Loa (eye worm) hypothetical protein 0.0026 0.0127 0.0127
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0304 0.0392
Loa Loa (eye worm) norepinephrine transporter 0.0249 0.2582 0.2582
Loa Loa (eye worm) hypothetical protein 0.0044 0.0322 0.0322
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0044 0.0322 0.042
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.059 0.6334 1
Schistosoma mansoni protein kinase 0.0068 0.0588 0.2276
Loa Loa (eye worm) hypothetical protein 0.0026 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0042 0.0304 0.0304
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0042 0.0304 0.0392
Loa Loa (eye worm) hypothetical protein 0.0107 0.1018 0.1018
Echinococcus multilocularis protoporphyrinogen oxidase 0.0054 0.0434 0.0566
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0304 0.1178
Brugia malayi Fibronectin type III domain containing protein 0.0044 0.0322 0.0332
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0068 0.0588 0.0766
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0054 0.0434 0.4587
Entamoeba histolytica protein kinase , putative 0.0068 0.0588 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in athymic nude NU-Fox1 mouse xenografted with human MOLM-13 cells assessed as body weight loss at 25 mg/kg, iv administered QD on days 1 to 5 and 8 to 12 measured up to 30 days ChEMBL. 22726931
GI50 (functional) = 2 nM Antiproliferative activity against human MOLM13 cells expressing FLT3-ITD mutant ChEMBL. 22726931
GI50 (functional) = 0.002 uM Cytotoxicity against human MOLM13 cells harboring mutant FLT3 after 72 hrs by MTS assay ChEMBL. 23618709
IC50 (binding) = 1 nM Inhibition of FLT3 autophosphorylation in human MV4-11 cells after 2 hrs by Western blot analysis ChEMBL. 22726931
IC50 (binding) = 10 nM Inhibition of wild type FLT3 ChEMBL. 22726931
IC50 (binding) = 70 nM Inhibition of VEGFR1 ChEMBL. 22726931
IC50 (binding) = 120 nM Inhibition of VEGFR2 ChEMBL. 22726931
IC50 (binding) > 1000 nM Inhibition of Aurora A ChEMBL. 22726931
IC50 (binding) = 0.01 uM Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis ChEMBL. 23618709
IC50 (binding) = 0.12 uM Inhibition of recombinant GST tagged VEGFR2 (789 to 1356) (unknown origin) transfected in insect sf9 cells after 120 mins by wallac counting analysis ChEMBL. 23618709
IC50 (binding) > 1 uM Inhibition of recombinant GST tagged Aurora A kinase (123 to 401) (unknown origin) transfected in insect sf9 cells after 90 mins by wallac counting analysis ChEMBL. 23618709
Inhibition (binding) Inhibition of FLT3 autophosphorylation in human MV4-11 cells after 2 hrs by Western blot analysis ChEMBL. 22726931

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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