Detailed information for compound 1269418

Basic information

Technical information
  • TDR Targets ID: 1269418
  • Name: 3-chloro-N-[4-[(2S)-2-methyl-3-oxo-4H-1,4-ben zoxazin-6-yl]-1,3-thiazol-2-yl]benzamide
  • MW: 399.851 | Formula: C19H14ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2cc(ccc2O[C@H]1C)c1csc(n1)NC(=O)c1cccc(c1)Cl
  • InChi: 1S/C19H14ClN3O3S/c1-10-17(24)21-14-8-11(5-6-16(14)26-10)15-9-27-19(22-15)23-18(25)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,21,24)(H,22,23,25)/t10-/m0/s1
  • InChiKey: RBOBRTIZLCZSMH-JTQLQIEISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-N-[4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiazol-2-yl]benzamide
  • 3-chloro-N-[4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiazolyl]benzamide
  • 3-chloro-N-[4-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiazol-2-yl]benzamide
  • ZINC07996826

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 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
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
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 granulosus cyclin dependent kinase 9 0.005 0.0445 0.0445
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.0408 0.1585
Giardia lamblia Kinase, CDC7 0.0061 0.0645 0.8259
Giardia lamblia Kinase, CMGC GSK 0.0053 0.0492 0.3852
Brugia malayi Protein kinase domain containing protein 0.0118 0.1626 0.2187
Onchocerca volvulus 0.0143 0.2064 0.7732
Brugia malayi Protein kinase domain containing protein 0.0065 0.0705 0.0948
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0408 0.0352
Trichomonas vaginalis AGC family protein kinase 0.0118 0.1626 0.9037
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0045 0.0359 0.0482
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0031 0.0106 0.0106
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0039 0.0253 0.0253
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0492 0.0662
Brugia malayi probable protein kinase 0.0089 0.1132 0.1522
Echinococcus granulosus Immunoglobulin 0.0044 0.0344 0.0344
Schistosoma mansoni protein kinase 0.0065 0.0701 0.2725
Schistosoma mansoni protein kinase 0.0089 0.1132 0.4401
Onchocerca volvulus 0.0053 0.0492 0.1843
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0645 0.2042
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.099 0.3846
Entamoeba histolytica protein kinase, putative 0.0053 0.0492 0.0603
Echinococcus granulosus neuroglian 0.0047 0.0394 0.0394
Echinococcus granulosus protein kinase shaggy 0.0053 0.0492 0.0492
Echinococcus granulosus CDC7 cell division cycle 7 0.0061 0.0645 0.0645
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.0408 0.0548
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0031 0.0106 0.0411
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0106 0.0411
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0065 0.0705 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.1394
Brugia malayi hypothetical protein 0.0044 0.0344 0.0463
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0045 0.0359 0.5083
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Echinococcus granulosus twitchin 0.0053 0.05 0.05
Echinococcus multilocularis neuroglian 0.0047 0.0394 0.1533
Echinococcus multilocularis Immunoglobulin 0.0044 0.0344 0.1338
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0162 0.2405 0.9006
Echinococcus granulosus protein kinase 0.0065 0.0701 0.0701
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0445 0.1731
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0048 0.0408 0.0548
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.0408 0.5782
Loa Loa (eye worm) AGC/PKA protein kinase 0.0045 0.0359 0.0482
Brugia malayi cyclin-dependent kinase 7 homolog 0.0089 0.1125 0.1512
Loa Loa (eye worm) hypothetical protein 0.0051 0.0459 0.0616
Plasmodium vivax serine/threonine kinase-1, putative 0.0065 0.0705 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0302 0.0406
Loa Loa (eye worm) hypothetical protein 0.0045 0.0359 0.0482
Leishmania major protein kinase, putative 0.0065 0.0705 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0053 0.0492 0.6977
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0705 1
Entamoeba histolytica protein kinase, putative 0.0118 0.1626 0.5726
Onchocerca volvulus 0.0167 0.2487 0.9314
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0053 0.0492 0.1913
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0118 0.1626 0.2187
Giardia lamblia Kinase, CMGC CLK 0.0065 0.0705 1
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0031 0.0106 0.0142
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.045 0.7438 1
Schistosoma mansoni serine/threonine protein kinase 0.0149 0.217 0.8435
Echinococcus granulosus hypothetical protein 0.0059 0.06 0.06
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.0408 0.1585
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.0344 0.0463
Brugia malayi Protein kinase domain containing protein 0.045 0.7438 1
Onchocerca volvulus 0.0061 0.0645 0.2416
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0359 0.1394
Entamoeba histolytica protein kinase domain containing protein 0.005 0.0445 0.0392
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0359 0.1394
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0162 0.2405 0.9345
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0408 0.0352
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0045 0.0359 0.5083
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0053 0.0492 0.3852
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0162 0.2405 0.2405
Echinococcus granulosus defective proboscis extension response 0.0044 0.0344 0.0344
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.005 0.0445 0.0599
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.1626 0.6321
Brugia malayi Protein kinase domain containing protein 0.0048 0.0408 0.0548
Echinococcus granulosus rho-associated protein kinase 1 0.0149 0.217 0.217
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0492 0.0952
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0081 0.099 0.133
Entamoeba histolytica cell division protein kinase 2, putative 0.0048 0.0408 0.0223
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0222 0.3459 0.465
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0408 0.1585
Plasmodium falciparum protein kinase 5 0.0048 0.0408 0.1423
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0412 0.6774 0.9107
Brugia malayi cyclin-dependent kinase 9 0.005 0.0445 0.0599
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0162 0.2405 0.3233
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.0408 0.5782
Brugia malayi Fibronectin type III domain containing protein 0.0044 0.0344 0.0463
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0048 0.0408 0.1423
Giardia lamblia Kinase, CMGC CDK 0.0048 0.0408 0.1423
Echinococcus multilocularis cyclin dependent kinase 9 0.0058 0.0581 0.2256
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.0408 0.0548
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0044 0.0344 0.1338
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0044 0.0344 0.1338
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0065 0.0705 1
Echinococcus granulosus cyclin dependent kinase 7 0.0081 0.099 0.099
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0492 0.0952
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0045 0.0359 0.5083
Brugia malayi Protein kinase domain containing protein 0.0031 0.0106 0.0142
Trichomonas vaginalis AGC family protein kinase 0.0118 0.1626 0.9037
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.1394
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0125 0.1762 0.2368
Echinococcus granulosus cyclin dependent kinase 1 0.0048 0.0408 0.0408
Echinococcus granulosus cyclin dependent kinase 9 0.0058 0.0581 0.0581
Trypanosoma brucei protein kinase, putative 0.0053 0.0492 0.6977
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0065 0.0705 0.0948
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0645 0.2042
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Schistosoma mansoni vesicular amine transporter 0.0044 0.0344 0.1338
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0162 0.2405 0.3233
Loa Loa (eye worm) CDC7 protein kinase 0.0061 0.0645 0.0867
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0031 0.0106 0.0106
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0172 0.2573 0.3459
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0492 0.0662
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.1394
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0045 0.0359 0.5083
Echinococcus multilocularis cyclin dependent kinase 9 0.005 0.0445 0.1731
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0705 0.2742
Echinococcus granulosus cyclin dependent kinase 0.0048 0.0408 0.0408
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.0359
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0045 0.0359 0.5083
Plasmodium vivax protein kinase Crk2 0.0048 0.0408 0.1423
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0645 0.2507
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0106 0.0411
Echinococcus multilocularis CDC7 cell division cycle 7 0.0061 0.0645 0.2507
Echinococcus granulosus roundabout 2 0.0051 0.0459 0.0459
Schistosoma mansoni serine/threonine protein kinase 0.0172 0.2573 1
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.0408 0.5782
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0053 0.0492 0.1913
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0048 0.0408 0.1423
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.0359
Loa Loa (eye worm) AGC/PKA protein kinase 0.0045 0.0359 0.0482
Plasmodium vivax glycogen synthase kinase 3, putative 0.0053 0.0492 0.3852
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0705 1
Schistosoma mansoni protein kinase 0.0031 0.0106 0.0411
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0408 0.1585
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0705 1
Echinococcus multilocularis cyclin dependent kinase 0.0048 0.0408 0.1585
Brugia malayi Protein kinase domain containing protein 0.0162 0.2405 0.3233
Echinococcus multilocularis rho associated protein kinase 0.0149 0.217 0.8435
Trypanosoma brucei cdc2-related kinase 1 0.0048 0.0408 0.5782
Echinococcus multilocularis roundabout 2 0.0051 0.0459 0.1782
Trichomonas vaginalis CMGC family protein kinase 0.0065 0.0705 0.2472
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0408 0.0352
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0083 0.1027 0.1027
Onchocerca volvulus 0.0149 0.217 0.8128
Loa Loa (eye worm) hypothetical protein 0.0051 0.0459 0.0616
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.0408 0.5782
Entamoeba histolytica cell division protein kinase 2, putative 0.0056 0.0543 0.0833
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0172 0.2573 0.3459
Plasmodium falciparum glycogen synthase kinase 3 0.0053 0.0492 0.3852
Leishmania major protein kinase, putative 0.0065 0.0705 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0031 0.0106 0.0411
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0031 0.0106 0.0411
Plasmodium falciparum protein serine/threonine kinase-1 0.0065 0.0705 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0045 0.0359 0.5083
Entamoeba histolytica protein kinase domain containing protein 0.0053 0.0492 0.0603
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.099 0.3846
Echinococcus multilocularis 0.0059 0.06 0.2331
Loa Loa (eye worm) hypothetical protein 0.0059 0.06 0.0806
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0048 0.0408 0.0408
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0172 0.2573 0.2573
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0048 0.0408 0.1423
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0118 0.1626 0.6321
Brugia malayi phosphoinositide-dependent protein kinase I 0.0118 0.1626 0.2187
Onchocerca volvulus Tyrosine kinase homolog 0.0177 0.267 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.0359
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0048 0.0408 0.0408
Echinococcus multilocularis dual specificity protein kinase clk2 0.0065 0.0705 0.2742
Brugia malayi cell division control protein 2 homolog 0.0048 0.0408 0.0548
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0118 0.1626 0.1626
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0162 0.2405 0.3233
Giardia lamblia Kinase, CMGC CDK 0.0048 0.0408 0.1423
Echinococcus multilocularis 0.0065 0.0701 0.2725
Schistosoma mansoni kinase 0.005 0.0445 0.1731
Entamoeba histolytica protein kinase domain containing protein 0.0053 0.0492 0.0603
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0045 0.0359 0.5083
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0044 0.0344 0.1338
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0359 0.1394
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0172 0.2573 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0705 1
Trypanosoma brucei cdc2-related kinase 3 0.0048 0.0408 0.5782
Schistosoma mansoni nephrin 0.0047 0.0394 0.1533
Entamoeba histolytica protein kinase domain containing protein 0.0172 0.2573 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0408 0.0549
Echinococcus multilocularis protein kinase shaggy 0.0053 0.0492 0.1913
Brugia malayi Protein kinase domain containing protein 0.0412 0.6774 0.9107
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0359 0.1394
Echinococcus multilocularis Immunoglobulin 0.0044 0.0344 0.1338
Echinococcus granulosus dual specificity protein kinase clk2 0.0065 0.0705 0.0705
Echinococcus multilocularis cyclin dependent kinase 7 0.0081 0.099 0.3846
Onchocerca volvulus 0.0061 0.0645 0.2416
Brugia malayi Protein kinase domain containing protein 0.0061 0.0645 0.0867
Echinococcus multilocularis cyclin dependent kinase 5 0.0048 0.0408 0.1585
Loa Loa (eye worm) hypothetical protein 0.0083 0.1027 0.138
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Schistosoma mansoni serine/threonine protein kinase 0.0162 0.2405 0.9345
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0031 0.0106 0.0106
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0065 0.0705 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0053 0.0492 0.0492
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0053 0.0492 0.3852
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0065 0.0701 0.0943
Echinococcus granulosus cyclin dependent kinase 5 0.0048 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Brugia malayi intracellular kinase 0.0053 0.0492 0.0662
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0645 0.2042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0222 0.3459 0.465
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0039 0.0253 0.0983
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0705 0.2742
Giardia lamblia Kinase, CMGC GSK 0.0053 0.0492 0.3852
Loa Loa (eye worm) hypothetical protein 0.0044 0.0344 0.0463
Schistosoma mansoni cell adhesion molecule 0.0048 0.0408 0.1587
Trichomonas vaginalis AGC family protein kinase 0.0125 0.1762 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.4 nM Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay ChEMBL. 20869793

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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