Detailed information for compound 1832167

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 589.568 | Formula: C30H26F3N7O3
  • H donors: 2 H acceptors: 4 LogP: 4.69 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(cn1)Nc1nn2cccc2c(n1)c1ccc(cc1)OC(F)(F)F)Nc1cccc(c1)CN1CCOCC1
  • InChi: 1S/C30H26F3N7O3/c31-30(32,33)43-24-9-6-21(7-10-24)27-26-5-2-12-40(26)38-29(37-27)36-23-8-11-25(34-18-23)28(41)35-22-4-1-3-20(17-22)19-39-13-15-42-16-14-39/h1-12,17-18H,13-16,19H2,(H,35,41)(H,36,38)
  • InChiKey: XMBIGFLBTFRXHV-UHFFFAOYSA-N  

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 DNA polymerase kappa, putative 0.0032 0.1822 0.0505
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.402 0.4093
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.1822 0.1172
Brugia malayi Papain family cysteine protease containing protein 0.0028 0.1387 0.1103
Loa Loa (eye worm) hypothetical protein 0.0033 0.1966 0.2056
Loa Loa (eye worm) RNA binding protein 0.0055 0.4338 0.4537
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0031 0.1734 0.1656
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.402 0.4093
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0102 0.956 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.1822 0.0505
Loa Loa (eye worm) hypothetical protein 0.0102 0.956 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.402 0.4205
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0032 0.1822 0.1749
Echinococcus granulosus dna polymerase kappa 0.0032 0.1822 0.1749
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0028 0.1434 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0102 0.956 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Onchocerca volvulus Cathepsin F homolog 0.0028 0.1387 0.9558
Onchocerca volvulus 0.0028 0.1387 0.9558
Brugia malayi RNA binding protein 0.0055 0.4338 0.4315
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0102 0.956 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0032 0.1822 0.1906
Plasmodium vivax sentrin-specific protease 1, putative 0.0102 0.956 1
Echinococcus multilocularis sentrin specific protease 1 0.0102 0.956 1
Onchocerca volvulus Cathepsin L homolog 0.0028 0.1387 0.9558
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0028 0.1434 0.1336
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0374 0.0206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Loa Loa (eye worm) ctsf protein 0.0028 0.1387 0.1451
Onchocerca volvulus 0.0028 0.1387 0.9558
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni tar DNA-binding protein 0.0055 0.4338 0.4432
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Echinococcus granulosus sentrin specific protease 8 0.0028 0.1434 0.1336
Echinococcus multilocularis dna polymerase kappa 0.0032 0.1822 0.1749
Echinococcus granulosus fetal alzheimer antigen falz 0.0019 0.0463 0.03
Brugia malayi PHD-finger family protein 0.0022 0.0688 0.0342
Loa Loa (eye worm) Ulp1 protease 0.0028 0.1434 0.15
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0102 0.956 1
Brugia malayi TAR-binding protein 0.0055 0.4338 0.4315
Loa Loa (eye worm) PHD-finger family protein 0.0018 0.0282 0.0295
Echinococcus granulosus cathepsin l cysteine peptidase 0.0028 0.1387 0.1286
Echinococcus granulosus tar DNA binding protein 0.0055 0.4338 0.4432
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Brugia malayi RNA recognition motif domain containing protein 0.0055 0.4338 0.4315
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0028 0.1434 0.0057
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0031 0.1734 0.1656
Echinococcus multilocularis cysteine protease 0.0028 0.1387 0.1286
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Loa Loa (eye worm) hypothetical protein 0.0032 0.1822 0.1906
Plasmodium falciparum sentrin-specific protease 1 0.0102 0.956 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0028 0.1434 0.0057
Echinococcus granulosus dna polymerase eta 0.0032 0.1822 0.1749
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0055 0.4338 0.4432
Loa Loa (eye worm) hypothetical protein 0.0035 0.2191 0.2292
Schistosoma mansoni tar DNA-binding protein 0.0055 0.4338 0.4432
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.1822 0.1172
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0052 0.3991 0.4062
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Echinococcus multilocularis tar DNA binding protein 0.0055 0.4338 0.4432
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.1387 0.1286
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Mycobacterium ulcerans DNA polymerase IV 0.0032 0.1822 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.1822 0.1172
Mycobacterium ulcerans DNA polymerase IV 0.0032 0.1822 0.5
Schistosoma mansoni tar DNA-binding protein 0.0055 0.4338 0.4432
Brugia malayi ImpB/MucB/SamB family protein 0.0032 0.1822 0.1576
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0028 0.1434 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Trypanosoma brucei unspecified product 0.0032 0.1822 0.1172
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0032 0.1822 0.0505
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0102 0.956 1
Echinococcus multilocularis sentrin specific protease 7 0.0028 0.1434 0.1336
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.1387 0.1103
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Plasmodium vivax sentrin-specific protease 2, putative 0.0028 0.1434 0.0057
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.1387 0.1286
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.402 0.3969
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Trypanosoma brucei SUMO1/Ulp2, putative 0.0028 0.1434 0.0754
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Echinococcus multilocularis cysteine protease 0.0028 0.1387 0.1286
Loa Loa (eye worm) hypothetical protein 0.0019 0.0374 0.0391
Brugia malayi Bromodomain containing protein 0.0033 0.1959 0.1726
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0019 0.0463 0.03
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0028 0.1434 0.5
Onchocerca volvulus 0.0028 0.1387 0.9558
Schistosoma mansoni DNA polymerase eta 0.0032 0.1822 0.1749
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Onchocerca volvulus Cathepsin L homolog 0.0028 0.1387 0.9558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.402 0.4093
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.1387 0.1286
Echinococcus granulosus cathepsin L cysteine proteinase 0.0028 0.1387 0.1286
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.1822 0.0505
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Entamoeba histolytica cysteine protease, putative 0.0028 0.1387 0.1103
Trichomonas vaginalis Sentrin-specific protease, putative 0.0028 0.1434 0.1154
Leishmania major DNA polymerase eta, putative 0.0032 0.1822 0.0505
Loa Loa (eye worm) hypothetical protein 0.0028 0.1434 0.15
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.402 0.4093
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Loa Loa (eye worm) hypothetical protein 0.0061 0.5038 0.527
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Onchocerca volvulus 0.0028 0.1387 0.9558
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0032 0.1822 0.1749
Loa Loa (eye worm) TAR-binding protein 0.0055 0.4338 0.4537
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni hypothetical protein 0.0018 0.0282 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1434 0.1154
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.1387 0.1103
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0032 0.1822 0.1576
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Trypanosoma cruzi hypothetical protein 0.0028 0.1434 0.0054
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.1822 0.0505
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.402 0.4093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0374 0.0391
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.1822 0.5
Echinococcus multilocularis dna polymerase eta 0.0032 0.1822 0.1749
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.1822 0.0505
Echinococcus granulosus sentrin specific protease 1 0.0102 0.956 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.1434 0.15
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0028 0.1434 0.0054
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0019 0.0463 0.03
Schistosoma mansoni tar DNA-binding protein 0.0055 0.4338 0.4432
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.1387 0.1103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Entamoeba histolytica deoxycytidyl transferase, putative 0.0032 0.1822 0.1576
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0028 0.1387 0.1451
Echinococcus granulosus cathepsin l1 0.0028 0.1387 0.1286
Brugia malayi ImpB/MucB/SamB family protein 0.0032 0.1822 0.1576
Loa Loa (eye worm) Ulp1 protease 0.0028 0.1434 0.15
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.402 0.4093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Leishmania major DNA polymerase kappa, putative 0.0032 0.1822 0.0505
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Loa Loa (eye worm) hypothetical protein 0.0028 0.1387 0.1451
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.402 0.4093
Loa Loa (eye worm) fibroinase 0.0028 0.1387 0.1451
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0028 0.1434 0.1336
Schistosoma mansoni bromodomain containing protein 0.0055 0.4331 0.4425
Brugia malayi Cathepsin L-like precursor 0.0028 0.1387 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Schistosoma mansoni terminal deoxycytidyl transferase 0.0032 0.1822 0.1749
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0032 0.1822 0.1749
Loa Loa (eye worm) hypothetical protein 0.0019 0.0374 0.0391
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Onchocerca volvulus 0.0028 0.1434 1
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.1387 0.1286
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.1387 0.1286
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0028 0.1434 0.0054
Echinococcus multilocularis sentrin specific protease 8 0.0028 0.1434 0.1336
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0102 0.956 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Echinococcus granulosus sentrin specific protease 7 0.0028 0.1434 0.1336
Trypanosoma cruzi major cysteine proteinase, putative 0.0084 0.7501 0.7098
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Loa Loa (eye worm) hypothetical protein 0.0037 0.2372 0.2481
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Onchocerca volvulus 0.0028 0.1387 0.9558
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0097 0.8987 0.8824
Loa Loa (eye worm) cysteine protease 0.0028 0.1387 0.1451
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0032 0.1822 0.5
Echinococcus granulosus cathepsin l1 0.0019 0.0374 0.0206
Trypanosoma brucei DNA polymerase eta, putative 0.0032 0.1822 0.1172
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Giardia lamblia DINP protein human, muc B family 0.0032 0.1822 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0052 0.3991 0.4062
Onchocerca volvulus 0.0028 0.1387 0.9558
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0028 0.1387 0.1451
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.1387 0.1286
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0055 0.4338 0.4537
Brugia malayi Bromodomain containing protein 0.0065 0.5444 0.5519
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1822 0.1172
Trichomonas vaginalis DNA polymerase eta, putative 0.0032 0.1822 0.1576
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0028 0.1434 0.1154
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0028 0.1434 0.1154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1387 0.1103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.1434 0.1154
Onchocerca volvulus 0.0028 0.1387 0.9558
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1387 0.1103

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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