Detailed information for compound 1066140

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.563 | Formula: C28H31N3O5
  • H donors: 1 H acceptors: 2 LogP: 4.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cc(OC)c(c(c1)OC)OC)C#N
  • InChi: 1S/C28H31N3O5/c1-28(2)13-20-25(21(32)14-28)24(16-7-9-18(33-3)10-8-16)19(15-29)27(30)31(20)17-11-22(34-4)26(36-6)23(12-17)35-5/h7-12,24H,13-14,30H2,1-6H3
  • InChiKey: VNBTWVAFQRZRDL-UHFFFAOYSA-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
Brugia malayi latrophilin 2 splice variant baaae 0.0169 0.4772 0.6349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0809 0.0809
Onchocerca volvulus 0.0053 0.1052 0.1071
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.1027 0.4744
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0266 0.0125
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0187 0.5345 0.5345
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0078 0.1864 0.1864
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Echinococcus granulosus tar DNA binding protein 0.0252 0.7416 0.7416
Schistosoma mansoni hypothetical protein 0.0332 1 1
Loa Loa (eye worm) intermediate filament protein 0.0053 0.1052 0.1378
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.1052 0.1378
Schistosoma mansoni lamin 0.0053 0.1052 0.1052
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.1716 0.1716
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0889 0.0889
Brugia malayi Pre-SET motif family protein 0.003 0.033 0.0215
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0536 0.0536
Entamoeba histolytica serine/threonine protein kinase, putative 0.0187 0.5345 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.1716 0.2278
Schistosoma mansoni bromodomain containing protein 0.0065 0.1432 0.1432
Brugia malayi Pre-SET motif family protein 0.0212 0.6135 0.823
Brugia malayi TAR-binding protein 0.0252 0.7416 1
Schistosoma mansoni hypothetical protein 0.0078 0.1864 0.1864
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.033 0.033
Brugia malayi Ets-domain containing protein 0.0074 0.1716 0.2129
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0187 0.5345 0.5345
Schistosoma mansoni ferritin 0.0034 0.0445 0.0445
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0809 0.0809
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0078 0.1864 0.2333
Schistosoma mansoni ferritin 0.0034 0.0445 0.0445
Echinococcus granulosus lamin 0.0053 0.1052 0.1052
Treponema pallidum bacterioferrin (TpF1) 0.0034 0.0445 0.1253
Onchocerca volvulus 0.0241 0.7071 1
Echinococcus granulosus lamin dm0 0.0053 0.1052 0.1052
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.5345 0.5345
Schistosoma mansoni ferritin light chain 0.0034 0.0445 0.0445
Schistosoma mansoni ferritin 0.0034 0.0445 0.0445
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.1905 0.1905
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1315 0.1315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0809 0.0809
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0187 0.5345 0.744
Loa Loa (eye worm) hypothetical protein 0.0063 0.1374 0.1815
Schistosoma mansoni apoferritin-2 0.0034 0.0445 0.0445
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Brugia malayi Latrophilin receptor protein 2 0.0078 0.1864 0.2333
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0034 0.0445 0.1253
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0809 0.0809
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.033 0.033
Echinococcus multilocularis tar DNA binding protein 0.0252 0.7416 0.7416
Schistosoma mansoni hypothetical protein 0.0078 0.1864 0.1864
Loa Loa (eye worm) hypothetical protein 0.0025 0.0145 0.0149
Loa Loa (eye worm) hypothetical protein 0.0042 0.0694 0.0893
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Brugia malayi serine/threonine-protein kinase plk-2 0.0187 0.5345 0.714
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.1027 1
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.033 0.0568
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0809 0.0809
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 1
Brugia malayi Bromodomain containing protein 0.0077 0.1816 0.2267
Echinococcus multilocularis GPCR, family 2 0.0078 0.1864 0.1864
Schistosoma mansoni intermediate filament proteins 0.0053 0.1052 0.1052
Loa Loa (eye worm) hypothetical protein 0.0044 0.0756 0.0977
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.1905 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0889 0.0889
Echinococcus granulosus GPCR family 2 0.0078 0.1864 0.1864
Echinococcus multilocularis musashi 0.0053 0.1052 0.1052
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.1027 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1864 0.2479
Schistosoma mansoni hypothetical protein 0.0078 0.1864 0.1864
Schistosoma mansoni tar DNA-binding protein 0.0252 0.7416 0.7416
Brugia malayi Probable ClpP-like protease 0.008 0.1905 0.2389
Loa Loa (eye worm) hypothetical protein 0.0053 0.1052 0.1378
Brugia malayi Calcitonin receptor-like protein seb-1 0.0247 0.7278 0.9809
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0187 0.5345 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0252 0.7416 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0078 0.1864 0.1864
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.6135 0.8264
Brugia malayi RNA recognition motif domain containing protein 0.0252 0.7416 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.1905 0.1905
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Echinococcus multilocularis ferritin 0.0034 0.0445 0.0445
Echinococcus multilocularis expressed protein 0.0034 0.0445 0.0445
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0176 0.0176
Trypanosoma cruzi polo-like protein kinase, putative 0.0187 0.5345 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0809 0.0809
Schistosoma mansoni gabp alpha 0.0074 0.1716 0.1716
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.1027 0.1027
Trypanosoma brucei polo-like protein kinase 0.0187 0.5345 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 1
Brugia malayi intermediate filament protein 0.0053 0.1052 0.1211
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.1905 0.1905
Echinococcus granulosus expressed protein 0.0034 0.0445 0.0445
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0266 0.0313
Trypanosoma cruzi polo-like protein kinase, putative 0.0187 0.5345 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.033 0.033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0809 0.105
Schistosoma mansoni hypothetical protein 0.0078 0.1864 0.1864
Echinococcus granulosus intermediate filament protein 0.0053 0.1052 0.1052
Echinococcus multilocularis lamin dm0 0.0053 0.1052 0.1052
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0097 0.0097
Loa Loa (eye worm) RNA binding protein 0.0252 0.7416 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0247 0.7278 0.9809
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.1052 0.1211
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0078 0.1864 0.1864
Brugia malayi Ets-domain containing protein 0.0074 0.1716 0.2129
Brugia malayi Fli-1 protein 0.0224 0.6517 0.8758
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1315 0.1315
Schistosoma mansoni apoferritin-2 0.0034 0.0445 0.0445
Brugia malayi Bromodomain containing protein 0.0039 0.0614 0.0606
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.1716 0.1716
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0247 0.7278 0.9813
Loa Loa (eye worm) hypothetical protein 0.0026 0.0176 0.0191
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0176 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0252 0.7416 0.7416
Brugia malayi RNA binding protein 0.0252 0.7416 1
Plasmodium vivax SET domain protein, putative 0.003 0.033 0.0568
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0078 0.1864 0.1864
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.1905 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.4772 0.6418
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1905 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0809 0.0809
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0809 0.0876
Echinococcus multilocularis geminin 0.0332 1 1
Schistosoma mansoni ets-related 0.0224 0.6517 0.6517
Loa Loa (eye worm) fli-1 protein 0.0224 0.6517 0.8781
Loa Loa (eye worm) hypothetical protein 0.0025 0.0145 0.0149
Loa Loa (eye worm) hypothetical protein 0.0247 0.7278 0.9813
Schistosoma mansoni tar DNA-binding protein 0.0252 0.7416 0.7416
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0889 0.0889
Onchocerca volvulus 0.0053 0.1052 0.1071
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.1027 0.1027
Schistosoma mansoni hypothetical protein 0.0021 0.0035 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0889 0.0889
Schistosoma mansoni hypothetical protein 0.0169 0.4772 0.4772
Loa Loa (eye worm) TAR-binding protein 0.0252 0.7416 1
Schistosoma mansoni kinase 0.0095 0.2401 0.2401
Loa Loa (eye worm) hypothetical protein 0.0072 0.1676 0.2224
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0187 0.5345 0.7195
Schistosoma mansoni tar DNA-binding protein 0.0252 0.7416 0.7416
Loa Loa (eye worm) hypothetical protein 0.0052 0.1021 0.1336
Giardia lamblia Kinase, PLK 0.0187 0.5345 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0097 0.0097
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0536 0.0536
Echinococcus multilocularis lamin 0.0053 0.1052 0.1052
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.1905 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2322 0.2833
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0295 0.0295
Trichomonas vaginalis CAMK family protein kinase 0.0187 0.5345 0.7396
Schistosoma mansoni ferritin 0.0034 0.0445 0.0445
Trichomonas vaginalis set domain proteins, putative 0.0241 0.7071 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0889 0.1158
Echinococcus granulosus ferritin 0.0034 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0332 1 1
Schistosoma mansoni tar DNA-binding protein 0.0252 0.7416 0.7416
Loa Loa (eye worm) hypothetical protein 0.008 0.1905 0.2533
Schistosoma mansoni lamin 0.0053 0.1052 0.1052
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1905 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0078 0.1864 0.2479
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0097 0.0097
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2322 0.2833
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0787
Schistosoma mansoni ferritin light chain 0.0034 0.0445 0.0445

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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