Detailed information for compound 1773374

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.399 | Formula: C23H16N4O
  • H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(/C/1=C\c1ccc3c(c1)[nH]nc3/C=C/c1ccncc1)cccc2
  • InChi: 1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+
  • InChiKey: CZFUYZPXZGGWKC-SRQUHQSVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References
Homo sapiens polo-like kinase 2 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL References
Homo sapiens polo-like kinase 3 Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References
Homo sapiens polo-like kinase 4 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL References
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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani Aurora I-related kinase 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
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni kinase Get druggable targets OG5_134726 All targets in OG5_134726
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis AGC family protein kinase 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 brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein 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
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase 12 B 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
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase 6, 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
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aurora kinase A 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
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei aurora B kinase 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
Leishmania infantum protein kinase, putative 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
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium yoelii putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
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 CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase 12 B 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum protein kinase, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni 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
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica 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
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Schistosoma mansoni serine/threonine protein kinase 0.0401 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0203 0.4949 0.4932
Echinococcus multilocularis neuroglian 0.0033 0.0602 0.0302
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0309 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.1487 0.1458
Loa Loa (eye worm) AUR protein kinase 0.007 0.1542 0.1513
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0309 0.5
Leishmania major protein kinase, putative 0.007 0.1542 0.1272
Echinococcus multilocularis Immunoglobulin 0.003 0.0529 0.0227
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0136 0.3247 0.3032
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0136 0.3247 0.3032
Entamoeba histolytica serine/threonine protein kinase, putative 0.0401 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0401 1 1
Loa Loa (eye worm) CYP4Cod1 0.0032 0.058 0.0548
Schistosoma mansoni vesicular amine transporter 0.003 0.0529 0.0529
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.003 0.0529 0.0529
Brugia malayi Cytochrome P450 family protein 0.0067 0.1487 0.1215
Echinococcus granulosus neuroglian 0.0033 0.0602 0.0302
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0401 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Schistosoma mansoni cytochrome P450 0.0021 0.0309 0.0309
Echinococcus granulosus Immunoglobulin 0.003 0.0529 0.0227
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.058 0.0548
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0034 0.0623 0.0323
Trypanosoma brucei cytochrome P450, putative 0.0032 0.058 0.0279
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.007 0.1542 0.1272
Echinococcus granulosus defective proboscis extension response 0.003 0.0529 0.0227
Brugia malayi serine/threonine kinase 12 0.007 0.1542 0.1272
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0309 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.003 0.0529 0.0227
Echinococcus granulosus aurora kinase A 0.007 0.1542 0.1272
Loa Loa (eye worm) hypothetical protein 0.0036 0.0696 0.0664
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0309 0.5
Loa Loa (eye worm) cytochrome P450 0.0021 0.0309 0.0276
Brugia malayi Cytochrome P450 family protein 0.0032 0.058 0.0279
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0309 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Loa Loa (eye worm) AUR protein kinase 0.007 0.1542 0.1513
Echinococcus granulosus twitchin 0.0035 0.0654 0.0356
Brugia malayi Cytochrome P450 family protein 0.0032 0.058 0.0279
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0309 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0309 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Trichomonas vaginalis CAMK family protein kinase 0.017 0.4114 0.3042
Schistosoma mansoni protein kinase 0.007 0.1542 0.1542
Trypanosoma cruzi polo-like protein kinase, putative 0.0401 1 1
Schistosoma mansoni cell adhesion molecule 0.0034 0.0623 0.0623
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0309 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0401 1 1
Schistosoma mansoni nephrin 0.0033 0.0602 0.0602
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0309 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0309 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0203 0.4949 0.4788
Schistosoma mansoni Neurotrimin precursor (hNT) 0.003 0.0529 0.0529
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0309 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0309 0.5
Trypanosoma cruzi aurora B kinase, putative 0.007 0.1542 0.1272
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0401 1 1
Echinococcus multilocularis Immunoglobulin 0.003 0.0529 0.0227
Echinococcus multilocularis roundabout 2 0.0036 0.0696 0.0399
Toxoplasma gondii aurora kinase 0.007 0.1542 1
Schistosoma mansoni hypothetical protein 0.0021 0.0309 0.0309
Trypanosoma brucei polo-like protein kinase 0.0401 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0309 0.5
Brugia malayi hypothetical protein 0.003 0.0529 0.0227
Loa Loa (eye worm) hypothetical protein 0.0034 0.0623 0.0591
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0309 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0401 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0309 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0309 0.5
Echinococcus granulosus roundabout 2 0.0036 0.0696 0.0399
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0309 0.5
Trypanosoma brucei aurora B kinase 0.007 0.1542 0.1272
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0309 0.5
Trichomonas vaginalis CAMK family protein kinase 0.017 0.4114 0.3042
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.058 0.0279
Schistosoma mansoni kinase 0.0367 0.9133 0.9133
Brugia malayi serine/threonine-protein kinase 6 0.007 0.1542 0.1272
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0529 0.0227
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.058 0.0548
Brugia malayi Fibronectin type III domain containing protein 0.003 0.0529 0.0227
Plasmodium vivax serine/threonine protein kinase 6, putative 0.007 0.1542 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0696 0.0664
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.058 0.0279
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0309 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0401 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.4164 0.0239
Mycobacterium leprae putative cytochrome p450 0.0021 0.0309 0.5
Giardia lamblia Kinase, PLK 0.0401 1 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.007 0.1542 0.1272
Loa Loa (eye worm) AUR protein kinase 0.007 0.1542 0.1513
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0309 0.5
Brugia malayi serine/threonine protein kinase 6 0.007 0.1542 0.1272
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.058 1
Leishmania major cytochrome p450-like protein 0.0032 0.058 0.0279
Echinococcus multilocularis aurora kinase A 0.007 0.1542 0.1272
Trichomonas vaginalis CAMK family protein kinase 0.0401 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0529 0.0497
Plasmodium falciparum serine/threonine protein kinase, putative 0.007 0.1542 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0309 0.5
Schistosoma mansoni serine/threonine protein kinase 0.007 0.1542 0.1542

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 5.2 % Cell cycle arrest in human MDA-MB-468 cells assessed as accumulation of 16N peaks at 1 uM after 2 days by FACS analysis ChEMBL. 23829549
GI50 (functional) = 0.31 uM Cytotoxicity against human MDA-MB-468 cells after 5 days by SRB assay ChEMBL. 24867403
IC50 (binding) = 2.4 nM Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method ChEMBL. 24867403
IC50 (binding) = 5.4 nM Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ELISA assay ChEMBL. 23829549
IC50 (binding) = 24 nM Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (binding) > 100000 nM Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (binding) > 100000 nM Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (binding) > 100000 nM Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (ADMET) = 0.02 uM Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay ChEMBL. 23829549
IC50 (ADMET) = 0.02 uM Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay ChEMBL. 24867403
IC50 (binding) = 0.034 uM Inhibition of KDR (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (binding) = 0.035 uM Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay ChEMBL. 24867403
IC50 (ADMET) = 0.13 uM Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay ChEMBL. 23829549
IC50 (ADMET) = 0.13 uM Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay ChEMBL. 24867403
IC50 (ADMET) = 1 uM Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay ChEMBL. 24867403
IC50 (ADMET) = 2.7 uM Inhibition of CYP3A4 (unknown origin) after 10 mins by fluorescence assay ChEMBL. 23829549
IC50 (ADMET) > 10 uM Inhibition of CYP2D6 (unknown origin) using AMMC as substrate after 30 mins by fluorescence assay ChEMBL. 23829549
IC50 (ADMET) > 10 uM Inhibition of CYP1A2 (unknown origin) using CEC as substrate after 15 mins by fluorescence assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (ADMET) > 10 uM Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay ChEMBL. 24867403
IC50 (ADMET) = 20 uM Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay ChEMBL. 24867403
T1/2 (ADMET) = 6 min Half life in mouse liver microsomes at 1 uM in presence of NADPH by LC-MS method ChEMBL. 24867403

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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