Detailed information for compound 1902946

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.557 | Formula: C23H37N3O5
  • H donors: 1 H acceptors: 2 LogP: 5.16 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@@H]2[C@H]1Oc1n2ccc(=N)n1
  • InChi: 1S/C23H37N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(28)30-20-17(16-27)29-22-21(20)31-23-25-18(24)14-15-26(22)23/h14-15,17,20-22,24,27H,2-13,16H2,1H3/t17-,20-,21+,22-/m1/s1
  • InChiKey: BLSSJOQQCHQEIS-HLRQEUIKSA-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
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Giardia lamblia Kinase, PLK 0.0412 0.1396 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0098 0.0117 0.0415
Loa Loa (eye worm) glutaminase 2 0.0273 0.0828 0.2934
Echinococcus granulosus lysine specific histone demethylase 1A 0.0717 0.2635 1
Brugia malayi hypothetical protein 0.0281 0.0864 0.306
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2248 0.8856 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0218 0.0605 0.2141
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Mycobacterium ulcerans dehydrogenase 0.0281 0.0864 0.0039
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0281 0.0864 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0281 0.0864 0.09
Mycobacterium ulcerans monoamine oxidase 0.0281 0.0864 0.0039
Loa Loa (eye worm) aspartyl protease 6 0.0098 0.0117 0.0415
Toxoplasma gondii histone lysine-specific demethylase 0.0281 0.0864 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0281 0.0864 0.3278
Loa Loa (eye worm) hypothetical protein 0.0218 0.0605 0.2141
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Loa Loa (eye worm) hypothetical protein 0.0764 0.2824 1
Mycobacterium ulcerans oxidoreductase 0.0281 0.0864 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0412 0.1396 0.5297
Loa Loa (eye worm) hypothetical protein 0.0328 0.1052 0.3726
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0281 0.0864 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0412 0.1396 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0412 0.1396 0.5297
Loa Loa (eye worm) hypothetical protein 0.0281 0.0864 0.306
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0098 0.0117 0.0415
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0098 0.0117 0.0444
Brugia malayi hypothetical protein 0.0098 0.0117 0.0415
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Echinococcus multilocularis 0.0281 0.0864 0.3278
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0717 0.2635 1
Plasmodium vivax hypothetical protein, conserved 0.0281 0.0864 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0281 0.0864 1
Schistosoma mansoni kinase 0.021 0.0572 0.0595
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0281 0.0864 0.0039
Loa Loa (eye worm) hypothetical protein 0.0149 0.0325 0.115
Loa Loa (eye worm) hypothetical protein 0.0717 0.2635 0.9334
Brugia malayi Eukaryotic aspartyl protease family protein 0.0098 0.0117 0.0415
Schistosoma mansoni glutaminase 0.0273 0.0828 0.0863
Loa Loa (eye worm) hypothetical protein 0.0281 0.0864 0.306
Echinococcus granulosus lysine specific histone demethylase 1A 0.0281 0.0864 0.3278
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0412 0.1396 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0412 0.1396 0.4726
Brugia malayi aspartic protease BmAsp-1, identical 0.0098 0.0117 0.0415
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Loa Loa (eye worm) hypothetical protein 0.0717 0.2635 0.9334
Schistosoma mansoni serine/threonine protein kinase 0.0412 0.1396 0.1454
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0098 0.0117 0.0415
Brugia malayi SWIRM domain containing protein 0.0764 0.2824 1
Brugia malayi latrophilin 2 splice variant baaae 0.0149 0.0325 0.115
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0412 0.1396 0.4944
Brugia malayi serine/threonine-protein kinase plk-2 0.0412 0.1396 0.4944
Schistosoma mansoni amine oxidase 0.0281 0.0864 0.09
Trichomonas vaginalis glutaminase, putative 0.0273 0.0828 0.5561
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0717 0.2635 0.2744
Brugia malayi Pepsin A precursor 0.0098 0.0117 0.0415
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0117 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Loa Loa (eye worm) glutaminase 0.0273 0.0828 0.2934
Trypanosoma brucei polo-like protein kinase 0.0412 0.1396 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0281 0.0864 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.055 0.3383
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.055 0.3383
Schistosoma mansoni amine oxidase 0.0281 0.0864 0.09
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni memapsin-2 (A01 family) 0.2432 0.9604 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0281 0.0864 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0412 0.1396 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2529 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Plasmodium vivax hypothetical protein, conserved 0.0281 0.0864 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0098 0.0117 0.0444
Brugia malayi amine oxidase, flavin-containing family protein 0.0328 0.1052 0.3726
Trypanosoma cruzi polo-like protein kinase, putative 0.0412 0.1396 1
Brugia malayi hypothetical protein 0.0098 0.0117 0.0415
Schistosoma mansoni hypothetical protein 0.0149 0.0325 0.0338
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0218 0.0605 0.2141
Brugia malayi Calcitonin receptor-like protein seb-1 0.0218 0.0605 0.2141
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Onchocerca volvulus 0.0764 0.2824 1
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0281 0.0864 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0281 0.0864 1
Brugia malayi glutaminase DH11.1 0.0273 0.0828 0.2934
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0281 0.0864 1

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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