Detailed information for compound 1937915

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 604.363 | Formula: C11H16BCl3N5O11P3
  • H donors: 6 H acceptors: 11 LogP: -3.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 4
  • SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)B)O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N
  • InChi: 1S/C11H16BCl3N5O11P3/c12-34(28,31-33(26,27)11(14,15)32(23,24)25)29-1-3-5(21)6(22)9(30-3)20-2-17-4-7(16)18-10(13)19-8(4)20/h2-3,5-6,9,21-22H,1,12H2,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t3-,5-,6-,9-,34?/m1/s1
  • InChiKey: MSFBRNPFFXUBCS-ISCFQLHLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0259 0.0679 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1176 0.4063 0.4063
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0896 0.3029 0.3029
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.0107 0.1563
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0259 0.0679 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0107 0.0106
Echinococcus granulosus peter pan 0.0075 0.0002 0.0002
Echinococcus granulosus dual specificity 0.0104 0.0107 0.0107
Leishmania major cyclin 0.0085 0.0039 0.0554
Trichomonas vaginalis cyclin B, putative 0.0085 0.0039 0.0057
Entamoeba histolytica protein kinase, putative 0.0896 0.3029 0.4559
Loa Loa (eye worm) hypothetical protein 0.0085 0.0039 0.0043
Trichomonas vaginalis cyclins, putative 0.0085 0.0039 0.0057
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1176 0.4063 0.6116
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1875 0.6642 1
Loa Loa (eye worm) phosphatidylinositol 3 0.2424 0.8664 1
Schistosoma mansoni cyclin B 0.0085 0.0039 0.0038
Leishmania major phosphatidylinositol 3-kinase, putative 0.0259 0.0679 1
Trypanosoma cruzi cyclin, putative 0.0085 0.0039 0.0057
Entamoeba histolytica cell division protein kinase 2, putative 0.01 0.0094 0.0139
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0621 0.2014 0.3031
Brugia malayi cell division control protein 2 homolog 0.01 0.0094 0.0139
Loa Loa (eye worm) hypothetical protein 0.0276 0.0745 0.0858
Echinococcus multilocularis cyclin dependent kinase 0.01 0.0094 0.0094
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0621 0.2014 0.3031
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2786 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0039 0.0043
Trichomonas vaginalis AGC family protein kinase 0.0896 0.3029 0.4559
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.01 0.0094 0.0107
Schistosoma mansoni serine/threonine protein kinase 0.0896 0.3029 0.3028
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.0107 0.0526
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0039 0.0057
Trichomonas vaginalis cyclins, putative 0.0085 0.0039 0.0057
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0621 0.2014 0.2013
Echinococcus multilocularis cyclin dependent kinase 1 0.01 0.0094 0.0094
Echinococcus multilocularis peter pan 0.0075 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0129 0.0201 0.023
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0259 0.0679 0.1019
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0259 0.0679 0.1019
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.132 0.4593 0.6915
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0259 0.0679 0.0679
Trypanosoma cruzi cdc2-related kinase 1 0.01 0.0094 0.0139
Loa Loa (eye worm) hypothetical protein 0.0093 0.007 0.0079
Entamoeba histolytica protein kinase, putative 0.0104 0.0107 0.0159
Brugia malayi hypothetical protein 0.0129 0.0201 0.03
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0896 0.3029 0.3029
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0269 0.0718 0.0718
Echinococcus multilocularis cyclin dependent kinase 1 0.01 0.0094 0.0094
Trypanosoma brucei cdc2-related kinase 1 0.01 0.0094 0.046
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.0107 0.0122
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0621 0.2014 0.3031
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0621 0.2014 0.3031
Loa Loa (eye worm) phosphatidylinositol 3 0.0562 0.1798 0.2073
Trichomonas vaginalis cyclins, putative 0.0085 0.0039 0.0057
Entamoeba histolytica hypothetical protein 0.1513 0.5306 0.7988
Trypanosoma cruzi CYC2-like cyclin, putative 0.0085 0.0039 0.0057
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1875 0.6642 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0259 0.0679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.007 0.0079
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0259 0.0679 0.0677
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0814 0.2727 0.4104
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1875 0.6642 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0679 1
Onchocerca volvulus 0.0085 0.0039 1
Giardia lamblia Kinase, CMGC CDK 0.01 0.0094 0.0284
Echinococcus granulosus cyclin dependent kinase 0.01 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0129 0.0201 0.023
Trypanosoma cruzi cdc2-related kinase 1 0.01 0.0094 0.0139
Trypanosoma cruzi cyclin, putative 0.0085 0.0039 0.0057
Trypanosoma brucei cdc2-related kinase 3 0.01 0.0094 0.046
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0259 0.0679 0.0677
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0896 0.3029 0.3494
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0958 0.3257 1
Echinococcus multilocularis dual specificity 0.0104 0.0107 0.0107
Entamoeba histolytica protein kinase, putative 0.0104 0.0107 0.0159
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0679 0.1019
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.132 0.4593 0.6915
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0269 0.0718 0.0717
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0621 0.2014 0.3031
Echinococcus granulosus cyclin B 0.0085 0.0039 0.0039
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0259 0.0679 0.0781
Loa Loa (eye worm) hypothetical protein 0.009 0.0056 0.0063
Brugia malayi Protein kinase domain containing protein 0.0896 0.3029 0.4559
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1176 0.4063 0.4063
Trypanosoma brucei mitotic cyclin 6 0.0085 0.0039 0.0186
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0269 0.0718 0.0718
Trichomonas vaginalis cyclin B, putative 0.0085 0.0039 0.0057
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1875 0.6642 1
Trichomonas vaginalis cyclin A, putative 0.0085 0.0039 0.0057
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0107 0.0159
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.01 0.0094 0.1367
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0679 0.1019
Plasmodium vivax protein kinase Crk2 0.01 0.0094 0.1367
Trypanosoma cruzi cdc2-related kinase 3 0.01 0.0094 0.0139
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.01 0.0094 0.0107
Giardia lamblia G2/mitotic-specific cyclin B 0.0085 0.0039 0.0115
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0259 0.0679 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0259 0.0679 0.0679
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0562 0.1798 0.2705
Echinococcus granulosus cyclin dependent kinase 5 0.01 0.0094 0.0094
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1817 0.6425 0.9674
Brugia malayi Protein kinase domain containing protein 0.01 0.0094 0.0139
Echinococcus granulosus cyclin dependent kinase 1 0.01 0.0094 0.0094
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1875 0.6642 1
Trichomonas vaginalis AGC family protein kinase 0.0904 0.3059 0.4605
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0259 0.0679 0.0679
Loa Loa (eye worm) hypothetical protein 0.0699 0.2304 0.2658
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.01 0.0094 0.0107
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1513 0.5306 0.7988
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0094 0.0093
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0259 0.0679 0.1019
Echinococcus multilocularis cyclin B 0.0085 0.0039 0.0039
Plasmodium falciparum protein kinase 5 0.01 0.0094 0.1367
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0259 0.0679 0.1019
Trypanosoma cruzi cyclin 6, putative 0.0085 0.0039 0.0057
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0085 0.0039 0.0554
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0259 0.0679 0.1019
Trypanosoma cruzi cdc2-related kinase 3 0.01 0.0094 0.0139
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0621 0.2014 0.3031
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0107 0.0159
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0911 0.3084 0.4642
Trichomonas vaginalis cyclin B, putative 0.0085 0.0039 0.0057
Loa Loa (eye worm) hypothetical protein 0.1176 0.4063 0.4688
Entamoeba histolytica cell division protein kinase 2, putative 0.0108 0.0125 0.0185
Entamoeba histolytica hypothetical protein 0.0104 0.0107 0.0159
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0421 0.1278 0.3919
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.01 0.0094 0.1367
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0621 0.2014 0.3031
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.01 0.0094 0.1367
Brugia malayi phosphoinositide-dependent protein kinase I 0.0896 0.3029 0.4559
Trichomonas vaginalis AGC family protein kinase 0.0896 0.3029 0.4559
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0904 0.3059 0.353
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.0107 0.0159
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0039 0.0057
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0679 0.3363
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2786 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1875 0.6642 1
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0094 0.0139
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0621 0.2014 1
Giardia lamblia Kinase, CMGC CDK 0.01 0.0094 0.0284
Loa Loa (eye worm) hypothetical protein 0.0269 0.0718 0.0827
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1875 0.6642 1
Echinococcus multilocularis cyclin dependent kinase 5 0.01 0.0094 0.0094
Brugia malayi Protein kinase domain containing protein 0.0104 0.0107 0.0159
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0094 0.0139
Entamoeba histolytica cyclin, putative 0.0085 0.0039 0.0057
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0259 0.0679 0.0679
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0094 0.0139
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0094 0.0093
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0259 0.0679 0.1019
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.01 0.0094 0.0094
Trichomonas vaginalis cyclins, putative 0.0085 0.0039 0.0057
Trichomonas vaginalis cyclin B, putative 0.0085 0.0039 0.0057

Activities

No activities found for this compound.

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

No literature references available for this target.

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