Detailed information for compound 313364

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 557.594 | Formula: C31H31N3O7
  • H donors: 3 H acceptors: 6 LogP: 4.78 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)COc1ccc2c(n1)cccc2)CC(=O)O)C(C)C)COc1cccc2c1cccc2
  • InChi: 1S/C31H31N3O7/c1-19(2)30(34-27(36)18-40-26-13-7-10-20-8-3-5-11-22(20)26)31(39)33-24(16-29(37)38)25(35)17-41-28-15-14-21-9-4-6-12-23(21)32-28/h3-15,19,24,30H,16-18H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t24-,30-/m0/s1
  • InChiKey: SPHGXUCRDNWENT-NGQVCNFZSA-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
Trypanosoma cruzi cyclin, putative 0.0453 0.3088 1
Trichomonas vaginalis cyclin D, putative 0.0058 0.0274 0.0093
Brugia malayi Muscle positioning protein 4 0.0093 0.0522 0.1528
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0043 0.0166 0.0093
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.016 0.0151
Treponema pallidum methylated-DNA-protein-cysteine S-methyltransferase (dat) 0.0127 0.0764 0.5
Toxoplasma gondii EGF family domain-containing protein 0.0093 0.0522 0.3562
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Plasmodium vivax protein kinase Crk2 0.0132 0.0797 1
Mycobacterium ulcerans methylated-DNA--protein-cysteine methyltransferase Ogt 0.0386 0.261 0.2604
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0247 0.0444
Trichomonas vaginalis cyclins, putative 0.0241 0.1578 0.4686
Schistosoma mansoni cyclin G 0.0058 0.0274 0.0533
Trichomonas vaginalis cyclin B, putative 0.0241 0.1578 0.4686
Brugia malayi Animal haem peroxidase family protein 0.0288 0.191 0.6113
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0274 0.0093
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0169 0.1065 0.3321
Echinococcus granulosus delta-like protein 1 0.0093 0.0522 0.1367
Schistosoma mansoni cyclin G2 0.0058 0.0274 0.0533
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0043 0.0166 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0398 0.2698 0.8733
Echinococcus granulosus cyclin B3 1 0.0241 0.1578 0.4922
Entamoeba histolytica cyclin family protein 0.0241 0.1578 0.5016
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0315 0.0341
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Echinococcus granulosus notch 0.0093 0.0522 0.1367
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0142 0.0871 0.1369
Echinococcus granulosus neurogenic locus notch protein 0.0093 0.0522 0.1367
Entamoeba histolytica hypothetical protein 0.0093 0.052 0.1523
Mycobacterium tuberculosis Conserved protein 0.0078 0.0415 0.159
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0522 0.1528
Mycobacterium ulcerans hypothetical protein 0.0078 0.0415 0.0407
Echinococcus granulosus cyclin A3 4 0.0058 0.0274 0.0533
Echinococcus granulosus fibropellin Ia 0.0093 0.0522 0.1367
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0811 0.5639 1
Echinococcus multilocularis cyclin B3 1 0.0241 0.1578 0.2649
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0064 0.0315 0.0509
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Trichomonas vaginalis cyclin B, putative 0.0453 0.3088 1
Schistosoma mansoni hypothetical protein 0.0058 0.0274 0.0533
Brugia malayi Blistered cuticle protein 3 0.0288 0.191 0.6113
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0132 0.0797 0.2438
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.016 0.0967
Trypanosoma brucei cdc2-related kinase 1 0.0132 0.0797 0.216
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.016 0.0081
Trypanosoma cruzi cyclin 6, putative 0.0453 0.3088 1
Brugia malayi Animal haem peroxidase family protein 0.0288 0.191 0.6113
Echinococcus multilocularis neurogenic locus protein delta 0.0093 0.0522 0.0736
Loa Loa (eye worm) hypothetical protein 0.0453 0.3088 1
Brugia malayi Animal haem peroxidase family protein 0.0288 0.191 0.6113
Entamoeba histolytica protein kinase, putative 0.0093 0.052 0.1523
Trichomonas vaginalis cyclins, putative 0.0453 0.3088 1
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0058 0.0274 0.1075
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Schistosoma mansoni hypothetical protein 0.0058 0.0274 0.0533
Echinococcus multilocularis cyclin dependent kinase 1 0.0132 0.0797 0.1235
Trypanosoma cruzi cyclin 9, putative 0.0058 0.0274 0.0197
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Onchocerca volvulus 0.0288 0.191 0.6113
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Onchocerca volvulus Dual oxidase homolog 0.0288 0.191 0.6113
Toxoplasma gondii hypothetical protein 0.0183 0.1163 1
Entamoeba histolytica cyclin C, putative 0.0058 0.0274 0.0709
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Leishmania major hypothetical protein, conserved 0.0127 0.0764 0.2328
Echinococcus multilocularis cyclin dependent kinase 5 0.0132 0.0797 0.1235
Schistosoma mansoni cyclin B 0.0453 0.3088 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0064 0.0315 0.3888
Schistosoma mansoni hypothetical protein 0.0042 0.016 0.0151
Brugia malayi cell division control protein 2 homolog 0.0132 0.0797 0.2438
Onchocerca volvulus 0.0042 0.016 0.0334
Echinococcus granulosus RUN 0.0042 0.016 0.0151
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0253 0.1661 0.5199
Echinococcus granulosus cyclin G2 0.0058 0.0274 0.0533
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0353 0.2371 0.4084
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0058 0.0274 0.0287
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Trichomonas vaginalis cyclin D, putative 0.0241 0.1578 0.4686
Onchocerca volvulus 0.0288 0.191 0.6113
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Onchocerca volvulus Peroxidase homolog 0.0288 0.191 0.6113
Mycobacterium ulcerans transcriptional regulator 0.0078 0.0415 0.0407
Echinococcus multilocularis slit 2 protein 0.0093 0.0522 0.0736
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0093 0.052 0.1663
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0274 0.0093
Plasmodium vivax cyclin 4, putative 0.0058 0.0274 0.3364
Mycobacterium tuberculosis Possible transcriptional regulatory protein (probably MarR-family) 0.0078 0.0415 0.159
Plasmodium falciparum cyclin 1 0.0058 0.0274 0.1691
Loa Loa (eye worm) hypothetical protein 0.0212 0.1368 0.4416
Trypanosoma cruzi mitotic cyclin, putative 0.0058 0.0274 0.0197
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0064 0.0315 0.0509
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Trichomonas vaginalis cyclin A, putative 0.0058 0.0274 0.0093
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0059 0.0225
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Schistosoma mansoni cyclin k 0.0058 0.0274 0.0533
Loa Loa (eye worm) hypothetical protein 0.0042 0.016 0.0493
Loa Loa (eye worm) animal heme peroxidase 0.0288 0.191 0.6177
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0064 0.0315 0.0996
Brugia malayi Protein kinase domain containing protein 0.0093 0.052 0.1523
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Echinococcus granulosus cyclin k 0.0058 0.0274 0.0533
Entamoeba histolytica hypothetical protein 0.0036 0.0115 0.0186
Echinococcus granulosus cyclins 0.0241 0.1578 0.4922
Loa Loa (eye worm) hypothetical protein 0.0089 0.0492 0.157
Brugia malayi hypothetical protein 0.0042 0.016 0.0334
Echinococcus granulosus neurogenic locus notch protein 4 0.0093 0.0522 0.1367
Onchocerca volvulus Chorion peroxidase homolog 0.0288 0.191 0.6113
Plasmodium falciparum protein kinase 5 0.0132 0.0797 0.5026
Leishmania major cyclin 0.0453 0.3088 1
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0058 0.0274 0.0367
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0093 0.0522 0.1528
Trypanosoma cruzi cdc2-related kinase 1 0.0132 0.0797 0.2021
Echinococcus granulosus cyclin dependent kinase 5 0.0132 0.0797 0.2295
Schistosoma mansoni glutaminase 0.0324 0.2165 0.6896
Echinococcus multilocularis neurogenic locus notch protein 4 0.0093 0.0522 0.0736
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0142 0.0871 0.2543
Trichomonas vaginalis cyclins, putative 0.0453 0.3088 1
Schistosoma mansoni cyclins 0.0241 0.1578 0.4922
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0247 0.0776
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.016 0.0151
Leishmania major mitotic cyclin, putative 0.0058 0.0274 0.0709
Loa Loa (eye worm) hypothetical protein 0.0058 0.0274 0.0862
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0093 0.052 0.1211
Trichomonas vaginalis cyclins, putative 0.027 0.1783 0.5407
Echinococcus granulosus cyclin t1 0.0058 0.0274 0.0533
Echinococcus multilocularis fibropellin Ia 0.0093 0.0522 0.0736
Entamoeba histolytica cyclin, putative 0.0453 0.3088 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0061 0.0295 0.0273
Brugia malayi MAP kinase sur-1 0.0055 0.0247 0.0622
Echinococcus granulosus neural cadherin 0.0093 0.0522 0.1367
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Trichomonas vaginalis glutaminase, putative 0.0324 0.2165 0.6752
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0797 0.1937
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0315 0.0672
Schistosoma mansoni peroxidasin 0.0288 0.191 0.6039
Schistosoma mansoni peroxidasin 0.0288 0.191 0.6039
Trypanosoma brucei RNA helicase, putative 0.0113 0.0665 0.1707
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Trichomonas vaginalis cyclin B, putative 0.0058 0.0274 0.0093
Loa Loa (eye worm) hypothetical protein 0.0028 0.0059 0.0164
Onchocerca volvulus Peroxidasin homolog 0.0288 0.191 0.6113
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0059 0.0051
Brugia malayi Peroxidasin 0.0288 0.191 0.6113
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0064 0.0315 0.149
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0247 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0274 0.0197
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0085 0.0465 0.1176
Entamoeba histolytica cell division protein kinase 2, putative 0.0132 0.0797 0.2438
Trichomonas vaginalis cyclin B3, putative 0.0241 0.1578 0.4686
Onchocerca volvulus Slit protein homolog 0.0093 0.0522 0.1528
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0059 0.0225
Brugia malayi Animal haem peroxidase family protein 0.0288 0.191 0.6113
Onchocerca volvulus Putative cubilin 0.0093 0.0522 0.1528
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0247 0.0622
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Onchocerca volvulus Protein CNPPD1 homolog 0.0058 0.0274 0.0709
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0127 0.0764 0.1905
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0358 0.2407 0.7628
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Brugia malayi Doublecortin family protein 0.0042 0.016 0.0334
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0043 0.0166 0.0356
Mycobacterium leprae Probable transcriptional regulatory protein (MarR family) 0.0078 0.0415 0.1396
Trichomonas vaginalis cyclin B, putative 0.0058 0.0274 0.0093
Echinococcus granulosus dual specificity protein kinase clk2 0.0064 0.0315 0.0672
Echinococcus multilocularis cyclin b3 0.0241 0.1578 0.2649
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0358 0.2407 0.7669
Echinococcus multilocularis cyclin k 0.0058 0.0274 0.0287
Brugia malayi hypothetical protein 0.0042 0.016 0.0334
Brugia malayi cyclin fold protein 1 variant b 0.0058 0.0274 0.0709
Mycobacterium ulcerans transcriptional regulator 0.0078 0.0415 0.0407
Giardia lamblia Kinase, CMGC CLK 0.0064 0.0315 0.0239
Echinococcus multilocularis dual specificity 0.0093 0.052 0.0733
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Schistosoma mansoni cell polarity protein 0.0093 0.0522 0.1367
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0058 0.0274 0.0533
Loa Loa (eye worm) hypothetical protein 0.0085 0.0465 0.1482
Echinococcus multilocularis cyclin G2 0.0058 0.0274 0.0287
Brugia malayi GCC2 and GCC3 family protein 0.0093 0.0522 0.1528
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.052 0.1362
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Schistosoma mansoni g1/s-specific cyclin C 0.0058 0.0274 0.0533
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Echinococcus multilocularis neurogenic locus notch protein 0.0093 0.0522 0.0736
Echinococcus multilocularis cyclin B 0.0453 0.3088 0.5382
Trichomonas vaginalis cyclins, putative 0.0453 0.3088 1
Echinococcus granulosus cyclin dependent kinase 1 0.0132 0.0797 0.2295
Loa Loa (eye worm) CYL-1 protein 0.0058 0.0274 0.0862
Trypanosoma brucei cdc2-related kinase 3 0.0132 0.0797 0.216
Giardia lamblia G2/mitotic-specific cyclin B 0.0453 0.3088 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0353 0.2371 0.7673
Echinococcus granulosus Cyclin L1 0.0058 0.0274 0.0533
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Giardia lamblia Kinase, CMGC CDK 0.0132 0.0797 0.1937
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0058 0.0274 0.3364
Plasmodium falciparum cyclin 0.0241 0.1578 1
Entamoeba histolytica hypothetical protein 0.0036 0.0115 0.0186
Giardia lamblia Hypothetical protein 0.0058 0.0274 0.0093
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Loa Loa (eye worm) blistered cuticle protein 3 0.0288 0.191 0.6177
Trichomonas vaginalis cyclin B, putative 0.0453 0.3088 1
Echinococcus granulosus G1:S specific cyclin D1 0.0058 0.0274 0.0533
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0274 0.0093
Onchocerca volvulus Neurogenic locus notch homolog 0.0093 0.0522 0.1528
Echinococcus multilocularis neurogenic locus notch protein 0.0093 0.0522 0.0736
Echinococcus granulosus slit 2 protein 0.0093 0.0522 0.1367
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0522 0.1528
Trypanosoma brucei cyclin 3 0.0058 0.0274 0.0367
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Onchocerca volvulus Peroxidasin homolog 0.0288 0.191 0.6113
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Giardia lamblia Cyclin A 0.0241 0.1578 0.4686
Schistosoma mansoni cyclin d 0.0058 0.0274 0.0533
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.052 0.1056
Loa Loa (eye worm) hypothetical protein 0.0028 0.0059 0.0164
Onchocerca volvulus Peroxidase homolog 0.0288 0.191 0.6113
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0059 0.0051
Mycobacterium tuberculosis Conserved hypothetical protein 0.0188 0.1201 0.4601
Echinococcus multilocularis cyclin dependent kinase 1 0.0132 0.0797 0.1235
Loa Loa (eye worm) animal heme peroxidase 0.0288 0.191 0.6177
Toxoplasma gondii hypothetical protein 0.0058 0.027 0.1036
Toxoplasma gondii cyclin dependent kinase binding protein 0.0058 0.0274 0.1075
Echinococcus granulosus cyclin G2 0.0058 0.0274 0.0533
Echinococcus multilocularis cyclin A3 4 0.0058 0.0274 0.0287
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0247 0.0239
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.016 0.1923
Echinococcus granulosus protein jagged 2 0.0093 0.0522 0.1367
Onchocerca volvulus 0.0288 0.191 0.6113
Trypanosoma brucei mitotic cyclin 6 0.0453 0.3088 1
Brugia malayi hypothetical protein 0.0058 0.0274 0.0709
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Brugia malayi glutaminase DH11.1 0.0324 0.2165 0.6954
Echinococcus granulosus peroxidasin 0.0288 0.191 0.6039
Trypanosoma brucei cyclin 9 0.0058 0.0274 0.0367
Trypanosoma cruzi CYC2-like cyclin, putative 0.0453 0.3088 1
Brugia malayi Cyclin C 0.0058 0.0274 0.0709
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0059 0.0051
Echinococcus granulosus cyclins 0.0058 0.0274 0.0533
Echinococcus multilocularis cyclin y 0.0058 0.0274 0.0287
Loa Loa (eye worm) hypothetical protein 0.0079 0.0423 0.1346
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0058 0.0274 0.0533
Echinococcus multilocularis neural cadherin 0.0093 0.0522 0.0736
Onchocerca volvulus Cyclin L homolog 0.0058 0.0274 0.0709
Onchocerca volvulus 0.0093 0.0522 0.1528
Giardia lamblia Hypothetical protein 0.0241 0.1578 0.4686
Brugia malayi Cyclin, N-terminal domain containing protein 0.0453 0.3088 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0085 0.0465 0.1176
Entamoeba histolytica cyclin, domain containing protein 0.0058 0.0274 0.0709
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Schistosoma mansoni hypothetical protein 0.0113 0.0665 0.185
Trypanosoma brucei protein kinase, putative 0.0055 0.0247 0.0276
Brugia malayi hypothetical protein 0.0036 0.0115 0.0186
Mycobacterium ulcerans transcriptional regulatory protein 0.0078 0.0415 0.0407
Onchocerca volvulus 0.0085 0.0465 0.134
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0059 0.0051
Trypanosoma cruzi cdc2-related kinase 3 0.0132 0.0797 0.2021
Onchocerca volvulus 0.0058 0.0274 0.0709
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Loa Loa (eye worm) animal heme peroxidase 0.0288 0.191 0.6177
Schistosoma mansoni slit 0.0093 0.0522 0.1367
Entamoeba histolytica hypothetical protein 0.0036 0.0115 0.0186
Onchocerca volvulus 0.0093 0.0522 0.1528
Loa Loa (eye worm) hypothetical protein 0.0453 0.3088 1
Entamoeba histolytica hypothetical protein 0.0058 0.0274 0.0709
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0058 0.0274 0.0533
Schistosoma mansoni Cyclin fold protein 0.0058 0.0274 0.0533
Trypanosoma brucei DNA polymerase beta thumb, putative 0.005 0.0217 0.0173
Schistosoma mansoni hypothetical protein 0.017 0.1067 0.3201
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.016 0.0081
Echinococcus granulosus protein jagged 2 0.0093 0.0522 0.1367
Loa Loa (eye worm) notch protein 0.0093 0.0522 0.1667
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0247 0.0276
Schistosoma mansoni polycystin 1-related 0.0042 0.016 0.0151
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0247 0.0622
Echinococcus multilocularis geminin 0.017 0.1067 0.1722
Echinococcus granulosus cyclins 0.0241 0.1578 0.4922
Brugia malayi Cyclin, N-terminal domain containing protein 0.0453 0.3088 1
Echinococcus multilocularis cyclin y 0.0058 0.0274 0.0287
Schistosoma mansoni notch 0.0093 0.0522 0.1367
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0398 0.2698 0.8688
Onchocerca volvulus 0.0093 0.0522 0.1528
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0058 0.0274 0.1691
Trypanosoma brucei mitotic cyclin 0.0058 0.0274 0.0367
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Onchocerca volvulus 0.0093 0.0522 0.1528
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0142 0.0871 0.2543
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Echinococcus granulosus cyclin y 0.0058 0.0274 0.0533
Mycobacterium leprae POSSIBLE TRANSCRIPTIONAL REGULATORY PROTEIN (POSSIBLY MARR-FAMILY) 0.0078 0.0415 0.1396
Mycobacterium ulcerans transcriptional regulatory protein 0.0078 0.0415 0.0407
Echinococcus granulosus protein jagged 1 0.0093 0.0522 0.1367
Toxoplasma gondii hypothetical protein 0.0058 0.0274 0.1075
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0247 0.0105
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0315 0.0672
Schistosoma mansoni lipoxygenase 0.0253 0.1661 0.5199
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Schistosoma mansoni septate junction protein 0.0093 0.0522 0.1367
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0797 0.1937
Echinococcus multilocularis G1:S specific cyclin D1 0.0058 0.0274 0.0287
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0315 0.0239
Echinococcus multilocularis peroxidasin 0.0288 0.191 0.325
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.1578 0.4686
Mycobacterium ulcerans hypothetical protein 0.0188 0.1201 0.1194
Mycobacterium leprae PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA 0.0386 0.261 1
Leishmania major mitochondrial DNA polymerase beta 0.0358 0.2407 0.7752
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Echinococcus granulosus geminin 0.017 0.1067 0.3201
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0398 0.2698 0.4675
Onchocerca volvulus 0.0085 0.0465 0.134
Loa Loa (eye worm) hypothetical protein 0.006 0.0286 0.0904
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Trichomonas vaginalis methylated-DNA--protein-cysteine methyltransferase, putative 0.0127 0.0764 0.1819
Echinococcus multilocularis cyclin dependent kinase 0.0132 0.0797 0.1235
Echinococcus multilocularis neurogenic locus protein delta 0.0093 0.0522 0.0736
Schistosoma mansoni hypothetical protein 0.017 0.1067 0.3201
Trypanosoma cruzi mitotic cyclin, putative 0.0058 0.0274 0.0197
Loa Loa (eye worm) hypothetical protein 0.0128 0.0769 0.247
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Trichomonas vaginalis cyclin B3, putative 0.0058 0.0274 0.0093
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0247 0.0105
Loa Loa (eye worm) hypothetical protein 0.0028 0.0059 0.0164
Echinococcus granulosus cyclin 0.0058 0.0274 0.0533
Echinococcus granulosus cyclin B 0.0453 0.3088 1
Loa Loa (eye worm) glutaminase 0.0324 0.2165 0.7004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0247 0.0105
Echinococcus granulosus neurogenic locus notch protein 0.0093 0.0522 0.1367
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0398 0.2698 0.8712
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0274 0.0093
Onchocerca volvulus 0.0042 0.016 0.0334
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0797 0.1937
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0132 0.0797 0.6329
Trypanosoma cruzi cdc2-related kinase 3 0.0132 0.0797 0.2021
Trypanosoma brucei hypothetical protein, conserved 0.0052 0.0227 0.0207
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0247 0.0239
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.052 0.1056
Giardia lamblia Cyclin fold protein 1, putative 0.0058 0.0274 0.0093
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0043 0.0166 0.2006
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0132 0.0797 0.2438
Mycobacterium tuberculosis Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra 0.0386 0.261 1
Leishmania major cyclin 9, putative 0.0058 0.0274 0.0709
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Brugia malayi Cyclin, N-terminal domain containing protein 0.0353 0.2371 0.7634
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0142 0.0871 0.2802
Schistosoma mansoni loxhd1 0.0042 0.016 0.0151
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Loa Loa (eye worm) cyclin C 0.0058 0.0274 0.0862
Loa Loa (eye worm) hypothetical protein 0.0042 0.016 0.0493
Trichomonas vaginalis cyclin D, putative 0.0241 0.1578 0.4686
Leishmania major protein kinase, putative 0.0064 0.0315 0.0846
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Schistosoma mansoni cyclin l 0.0058 0.0274 0.0533
Schistosoma mansoni rab6-interacting 0.0042 0.016 0.0151
Trypanosoma cruzi cyclin, putative 0.0453 0.3088 1
Entamoeba histolytica hypothetical protein 0.0036 0.0115 0.0186
Leishmania major modification methylase-like protein 0.0043 0.0166 0.0356
Brugia malayi hypothetical protein 0.0288 0.191 0.6113
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.016 0.0151
Echinococcus multilocularis dual specificity protein kinase clk2 0.0064 0.0315 0.0362
Chlamydia trachomatis methylated-DNA protein-cysteine methyltransferase 0.0127 0.0764 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0132 0.0797 0.2295
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0059 0.0051
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0132 0.0797 0.2563
Trichomonas vaginalis cyclins, putative 0.0058 0.0274 0.0093
Echinococcus multilocularis cyclin t1 0.0058 0.0274 0.0287
Brugia malayi Cadherin domain containing protein 0.0093 0.0522 0.1528
Brugia malayi Protein kinase domain containing protein 0.0132 0.0797 0.2438
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0008 0.0031
Echinococcus multilocularis 0.006 0.0286 0.031
Echinococcus multilocularis cyclin G2 0.0058 0.0274 0.0287
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Loa Loa (eye worm) doublecortin family protein 0.0042 0.016 0.0493
Echinococcus granulosus cyclin y 0.0058 0.0274 0.0533
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Trichomonas vaginalis cyclin B, putative 0.0453 0.3088 1
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0058 0.0274 0.0862
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Echinococcus granulosus protein jagged 1 0.0093 0.0522 0.1367
Echinococcus multilocularis protein jagged 1 0.0093 0.0522 0.0736
Echinococcus granulosus cyclin b3 0.0241 0.1578 0.4922
Mycobacterium ulcerans MarR family transcriptional regulator 0.0078 0.0415 0.0407
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0315 0.0341
Onchocerca volvulus Cyclin L homolog 0.0058 0.0274 0.0709
Echinococcus multilocularis protein jagged 2 0.0093 0.0522 0.0736
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0058 0.0274 0.0287
Mycobacterium ulcerans transcriptional regulatory protein 0.0078 0.0415 0.0407
Trichomonas vaginalis cyclin B3, putative 0.0058 0.0274 0.0093
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0169 0.1065 0.3075
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0142 0.0871 0.1369
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0132 0.0797 0.2563
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0078 0.0415 0.159
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Entamoeba histolytica cyclin family protein 0.0241 0.1578 0.5016
Entamoeba histolytica cyclin, domain containing protein 0.0058 0.0274 0.0709
Echinococcus multilocularis notch 0.0093 0.0522 0.0736
Loa Loa (eye worm) glutaminase 2 0.0324 0.2165 0.7004
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Entamoeba histolytica cyclin, putative 0.0241 0.1578 0.5016
Brugia malayi hypothetical protein 0.0058 0.0274 0.0709
Echinococcus granulosus cyclins 0.0241 0.1578 0.4922
Toxoplasma gondii cyclin 4, putative 0.0058 0.0274 0.1075
Onchocerca volvulus 0.0453 0.3088 1
Echinococcus granulosus dual specificity 0.0093 0.052 0.1362
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Giardia lamblia Kinase, CMGC CDK 0.0132 0.0797 0.1937
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0247 0.0444
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0132 0.0797 0.2563
Echinococcus granulosus hypothetical protein 0.006 0.0286 0.0576
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0398 0.2698 0.8688
Entamoeba histolytica protein kinase domain containing protein 0.0093 0.052 0.1523
Entamoeba histolytica protein kinase, putative 0.0093 0.052 0.1523
Loa Loa (eye worm) Notch2 0.0093 0.0522 0.1667
Trichomonas vaginalis cyclins, putative 0.0058 0.0274 0.0093
Brugia malayi Cation transporter family protein 0.0085 0.0465 0.134
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0059 0.0051
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0353 0.2371 0.7589
Trypanosoma cruzi cdc2-related kinase 1 0.0132 0.0797 0.2021
Onchocerca volvulus 0.0093 0.0522 0.1528
Trichomonas vaginalis cyclins, putative 0.0453 0.3088 1
Schistosoma mansoni lipoxygenase 0.0177 0.1118 0.3375
Echinococcus multilocularis RUN 0.0042 0.016 0.0081
Loa Loa (eye worm) animal heme peroxidase 0.0288 0.191 0.6177
Brugia malayi EGF-like domain containing protein 0.0093 0.0522 0.1528
Brugia malayi Delta serrate ligand family protein 0.0093 0.0522 0.1528
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0522 0.1528
Loa Loa (eye worm) hypothetical protein 0.0089 0.0492 0.157
Leishmania major mitotic cyclin, putative 0.0058 0.0274 0.0709
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Echinococcus multilocularis protein jagged 1 0.0093 0.0522 0.0736
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0093 0.0522 0.1367
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Schistosoma mansoni cyclin B3 0.0353 0.2371 0.7589
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Echinococcus granulosus cyclins 0.0241 0.1578 0.4922
Mycobacterium ulcerans glutaminase 0.0324 0.2165 0.2159
Brugia malayi notch-like transmembrane receptor 0.0093 0.0522 0.1528
Brugia malayi Cadherin domain containing protein 0.0093 0.0522 0.1528
Mycobacterium ulcerans DNA-methyltransferase (modification methylase) 0.0052 0.0227 0.0219
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0078 0.0415 0.159
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0059 0.0051
Leishmania major protein kinase, putative 0.0064 0.0315 0.0846
Schistosoma mansoni serine/threonine protein kinase 0.0132 0.0797 0.2295
Schistosoma mansoni serine/threonine protein kinase 0.0132 0.0797 0.2295
Trichomonas vaginalis cyclin A, putative 0.0453 0.3088 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0058 0.0274 0.0709
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0253 0.1661 0.2798
Echinococcus granulosus cyclin dependent kinase 0.0132 0.0797 0.2295
Plasmodium vivax cyclin homologue, putative 0.0058 0.0274 0.3364
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0078 0.0415 0.159
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0127 0.0764 0.1905
Echinococcus multilocularis cyclins 0.0241 0.1578 0.2649
Brugia malayi Protein kinase domain containing protein 0.0064 0.0315 0.0846
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0142 0.0871 0.2543
Giardia lamblia Hypothetical protein 0.0058 0.0274 0.0093
Echinococcus multilocularis Cyclin L1 0.0058 0.0274 0.0287
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Schistosoma mansoni laminin gamma-3 chain 0.0093 0.0522 0.1367
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0274 0.3364
Loa Loa (eye worm) cyclin domain-containing protein 0.0058 0.0274 0.0862
Loa Loa (eye worm) hypothetical protein 0.0288 0.191 0.6177
Mycobacterium ulcerans hypothetical protein 0.0028 0.0059 0.0051
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0043 0.0166 0.1008
Echinococcus multilocularis cyclin 0.0058 0.0274 0.0287
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0247 0.0444
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Brugia malayi Animal haem peroxidase family protein 0.0288 0.191 0.6113
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0142 0.0871 0.2682
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0093 0.0522 0.1528
Schistosoma mansoni rab6-interacting 0.0042 0.016 0.0151
Echinococcus multilocularis fat cadherin tumor suppressor 0.0093 0.0522 0.0736
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0058 0.0274 0.1691
Loa Loa (eye worm) hypothetical protein 0.0085 0.0465 0.1482
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.016 0.0081
Trichomonas vaginalis cyclin B, putative 0.0453 0.3088 1
Giardia lamblia High cysteine protein 0.0093 0.0522 0.0966
Giardia lamblia Cyclin B-like protein 0.0058 0.0274 0.0093
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0315 0.0341
Loa Loa (eye worm) hypothetical protein 0.0093 0.0522 0.1667
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0315 0.0341
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0093 0.052 0.1523
Schistosoma mansoni hypothetical protein 0.0093 0.0522 0.1367
Entamoeba histolytica cell division protein kinase 2, putative 0.0132 0.0797 0.2438
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0169 0.1065 0.2953
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0058 0.0274 0.1075
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0453 0.3088 1
Echinococcus granulosus cyclins 0.0241 0.1578 0.4922
Echinococcus granulosus neurogenic locus protein delta 0.0093 0.0522 0.1367
Loa Loa (eye worm) hypothetical protein 0.0058 0.0274 0.0862
Echinococcus granulosus DNA methyltransferase 2, putative 0.0043 0.0166 0.0173
Onchocerca volvulus 0.0085 0.0465 0.134
Plasmodium falciparum protein serine/threonine kinase-1 0.0064 0.0315 0.1954
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0358 0.2407 0.7628
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0247 0.081

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 200 uM Inhibitory concentration for cellular activity in jurkat assay ChEMBL. 15964758
IC50 (functional) > 200 uM Inhibitory concentration for cellular activity in jurkat assay ChEMBL. 15964758
k3/ki (binding) = 0 1/m/s Binding affinity against Caspase-6 ChEMBL. 15964758
k3/ki (binding) = 0 1/m/s Binding affinity against Caspase-6 ChEMBL. 15964758
k3/ki (binding) = 9 1/m/s Binding affinity against Caspase-8 ChEMBL. 15964758
k3/ki (binding) = 9 1/m/s Binding affinity against Caspase-8 ChEMBL. 15964758
k3/ki (binding) = 67 1/m/s Binding affinity against mouse Caspase-1 ChEMBL. 15964758
k3/ki (binding) = 67 1/m/s Binding affinity against mouse Caspase-1 ChEMBL. 15964758
k3/ki (binding) = 979 1/m/s Binding affinity against Caspase-3 ChEMBL. 15964758
k3/ki (binding) = 979 1/m/s Binding affinity against Caspase-3 ChEMBL. 15964758

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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