Detailed information for compound 1702869

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 555.729 | Formula: C30H41N3O5S
  • H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](N1C[C@H](C)[C@H](CN(C(=O)NC2CCCCC2)C)Oc2c(S1(=O)=O)ccc(c2)/C=C/c1ccccc1)C
  • InChi: 1S/C30H41N3O5S/c1-22-19-33(23(2)21-34)39(36,37)29-17-16-25(15-14-24-10-6-4-7-11-24)18-27(29)38-28(22)20-32(3)30(35)31-26-12-8-5-9-13-26/h4,6-7,10-11,14-18,22-23,26,28,34H,5,8-9,12-13,19-21H2,1-3H3,(H,31,35)/b15-14+/t22-,23+,28-/m0/s1
  • InChiKey: DIBJIDYNEHVBAV-MSLUGGNCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0007 0.0007
Schistosoma mansoni lipoxygenase 0.006 0.0474 0.0474
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Brugia malayi hypothetical protein 0.0021 0.0007 0.0012
Trypanosoma brucei protein kinase A regulatory subunit 0.0034 0.0157 1
Brugia malayi Animal haem peroxidase family protein 0.0076 0.0669 0.1173
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0034 0.0157 0.0157
Onchocerca volvulus Peroxidasin homolog 0.0076 0.0669 0.1162
Loa Loa (eye worm) runx1 0.0062 0.0494 0.0867
Echinococcus multilocularis hyperpolarization activated cyclic 0.0845 1 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0034 0.0157 0.0157
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0361 0.0361
Onchocerca volvulus Peroxidase homolog 0.0076 0.0669 0.1162
Brugia malayi Doublecortin family protein 0.0021 0.0007 0.0012
Onchocerca volvulus 0.0076 0.0669 0.1162
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0012
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Brugia malayi hypothetical protein 0.0076 0.0669 0.1173
Mycobacterium tuberculosis Conserved hypothetical protein 0.0034 0.0157 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0034 0.0157 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0845 1 1
Schistosoma mansoni rab6-interacting 0.0021 0.0007 0.0007
Echinococcus multilocularis expressed conserved protein 0.0034 0.0157 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0157 0.0157
Trypanosoma cruzi Flagellar Member 6 0.0034 0.0157 1
Trypanosoma cruzi cAMP binding protein, putative 0.0034 0.0157 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0474 0.0474
Loa Loa (eye worm) hypothetical protein 0.003 0.0117 0.0205
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0478 0.0838
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0478 0.0838
Echinococcus multilocularis Protein lozenge 0.0062 0.0494 0.0494
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0007 0.0012
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0051 0.0361 0.0634
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0 0.5
Echinococcus granulosus RUN 0.0021 0.0007 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0361 0.0361
Brugia malayi Egg laying defective protein 4 0.0034 0.0157 0.0276
Loa Loa (eye worm) hypothetical protein 0.0034 0.0157 0.0276
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0034 0.0157 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0034 0.0157 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0007 0.0007
Mycobacterium ulcerans hypothetical protein 0.0034 0.0157 1
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0157 1
Brugia malayi Animal haem peroxidase family protein 0.0076 0.0669 0.1173
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0034 0.0157 0.0276
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0012
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0007 0.0422
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0034 0.0157 0.0276
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0157 0.0157
Loa Loa (eye worm) animal heme peroxidase 0.0076 0.0669 0.1173
Echinococcus granulosus voltage gated potassium channel 0.0051 0.0361 0.0361
Onchocerca volvulus 0.0076 0.0669 0.1162
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0247 0.0433
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0034 0.0157 0.0394
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0051 0.0361 0.0634
Brugia malayi Animal haem peroxidase family protein 0.0076 0.0669 0.1173
Onchocerca volvulus 0.0076 0.0669 0.1162
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0845 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0051 0.0361 0.0361
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0478 0.0838
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0007 0.0007
Leishmania major protein kinase, putative 0.0034 0.0157 1
Schistosoma mansoni lozenge 0.0062 0.0494 0.0494
Schistosoma mansoni hypothetical protein 0.0034 0.0157 0.0157
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0051 0.0361 0.0906
Loa Loa (eye worm) animal heme peroxidase 0.0076 0.0669 0.1173
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0034 0.0157 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0051 0.0361 0.0361
Brugia malayi Animal haem peroxidase family protein 0.0076 0.0669 0.1173
Loa Loa (eye worm) blistered cuticle protein 3 0.0076 0.0669 0.1173
Echinococcus granulosus hyperpolarization activated cyclic 0.0845 1 1
Onchocerca volvulus Dual oxidase homolog 0.0076 0.0669 0.1162
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0845 1 1
Echinococcus granulosus Ion_trans_N domain containing protein 0.0495 0.5756 0.5756
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0117 0.7426
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0478 0.0838
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0034 0.0157 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0845 1 1
Brugia malayi hypothetical protein 0.003 0.0117 0.0205
Trypanosoma cruzi cAMP response protein 1, putative 0.0034 0.0157 1
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0034 0.0157 0.0157
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0034 0.0157 1
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0034 0.0157 1
Echinococcus multilocularis hypothetical protein 0.0495 0.5756 0.5756
Loa Loa (eye worm) AGC/PKG protein kinase 0.0034 0.0157 0.0276
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0034 0.0157 0.0157
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0333 0.3787 0.3787
Schistosoma mansoni polycystin 1-related 0.0021 0.0007 0.0007
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0034 0.0157 1
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0034 0.0157 1
Loa Loa (eye worm) animal heme peroxidase 0.0076 0.0669 0.1173
Schistosoma mansoni loxhd1 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0157 0.0394
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0051 0.0361 0.0634
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0007 0.0007
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0034 0.0157 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0157 0.0394
Leishmania major hypothetical protein, conserved 0.003 0.0117 0.7426
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0034 0.0157 1
Leishmania major regulatory subunit of protein kinase a-like protein 0.0034 0.0157 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0034 0.0157 0.0157
Trypanosoma cruzi cAMP response protein 1 0.0034 0.0157 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0034 0.0157 0.0157
Brugia malayi hypothetical protein 0.0021 0.0007 0.0012
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0361 0.0361
Onchocerca volvulus 0.0034 0.0157 0.0264
Mycobacterium tuberculosis Conserved protein 0.0034 0.0157 1
Onchocerca volvulus Peroxidasin homolog 0.0076 0.0669 0.1162
Echinococcus multilocularis voltage gated potassium channel 0.0051 0.0361 0.0361
Treponema pallidum catabolite gene activator (Crp) 0.0034 0.0157 1
Onchocerca volvulus 0.0034 0.0157 0.0264
Echinococcus granulosus peroxidasin 0.0076 0.0669 0.0669
Echinococcus multilocularis RUN 0.0021 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0495 0.5756 0.5756
Echinococcus granulosus cGMP dependent protein kinase 0.0034 0.0157 0.0157
Brugia malayi Blistered cuticle protein 3 0.0076 0.0669 0.1173
Brugia malayi N-terminal motif family protein 0.0034 0.0157 0.0276
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0034 0.0157 0.0276
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0034 0.0157 0.0157
Mycobacterium ulcerans hypothetical protein 0.0034 0.0157 1
Brugia malayi hypothetical protein 0.049 0.5702 1
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0034 0.0157 1
Trypanosoma cruzi protein kinase A regulatory subunit 0.0034 0.0157 1
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0034 0.0157 0.0157
Trypanosoma brucei cAMP binding protein, putative 0.0034 0.0157 1
Leishmania major hypothetical protein, conserved 0.0034 0.0157 1
Mycobacterium ulcerans hypothetical protein 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0034 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0117 0.7426
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0051 0.0361 0.0361
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0034 0.0157 0.0157
Schistosoma mansoni peroxidasin 0.0076 0.0669 0.0669
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0051 0.0361 0.0361
Echinococcus granulosus patatin phospholipase domain containing protein 0.0034 0.0157 0.0157
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0034 0.0157 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0051 0.0361 0.0361
Schistosoma mansoni hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0034 0.0157 0.0157
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0034 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.049 0.5702 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0034 0.0157 1
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0034 0.0157 1
Schistosoma mansoni hypothetical protein 0.0041 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0117 0.7426
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Onchocerca volvulus 0.049 0.5702 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0247 0.0433
Mycobacterium leprae Conserved hypothetical protein 0.0034 0.0157 0.5
Leishmania major hypothetical protein, conserved 0.0034 0.0157 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0157 0.0394
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0051 0.0361 0.0634
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0034 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.049 0.5702 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0051 0.0361 0.0634
Loa Loa (eye worm) hypothetical protein 0.0051 0.0361 0.0634
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0474 0.0474
Leishmania major protein kinase, putative 0.0034 0.0157 1
Leishmania major hypothetical protein, unknown function 0.0034 0.0157 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0117 0.7426
Treponema pallidum cyclic nucleotide binding protein 0.0034 0.0157 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0034 0.0157 0.0157
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0051 0.0361 0.0361
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0034 0.0157 0.0157
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0034 0.0157 0.0157
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0117 0.7426
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0034 0.0157 0.0157
Echinococcus multilocularis peroxidasin 0.0076 0.0669 0.0669
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0051 0.0361 0.0634
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0034 0.0157 0.0157
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0034 0.0157 0.0157
Schistosoma mansoni peroxidasin 0.0076 0.0669 0.0669
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0051 0.0361 0.0361
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0034 0.0157 0.0264
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0034 0.0157 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0034 0.0157 0.0157
Mycobacterium ulcerans regulatory protein 0.0034 0.0157 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0034 0.0157 0.0157
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0051 0.0361 0.0634
Onchocerca volvulus Chorion peroxidase homolog 0.0076 0.0669 0.1162
Leishmania major cyclic nucleotide-binding protein-like protein 0.0034 0.0157 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0034 0.0157 1
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.0361 0.0361
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.035 0.3992 1
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0034 0.0157 1
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0034 0.0157 0.0276
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Mycobacterium ulcerans hypothetical protein 0.0034 0.0157 1
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0034 0.0157 0.0394
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0034 0.0157 0.0157
Treponema pallidum cyclic nucleotide binding protein 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Loa Loa (eye worm) hypothetical protein 0.0034 0.0157 0.0276
Treponema pallidum catabolite gene activator 0.0034 0.0157 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0007 0.0007
Brugia malayi Animal haem peroxidase family protein 0.0076 0.0669 0.1173
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0845 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0117 0.7426
Leishmania major protein kinase A regulatory subunit, putative 0.0034 0.0157 1
Schistosoma mansoni rab6-interacting 0.0021 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0034 0.0157 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0007 0.0422
Loa Loa (eye worm) animal heme peroxidase 0.0076 0.0669 0.1173
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0034 0.0157 0.0157
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0051 0.0361 0.0361
Schistosoma mansoni lipoxygenase 0.0021 0.0007 0.0007
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0007 0.0007
Brugia malayi Peroxidasin 0.0076 0.0669 0.1173
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0034 0.0157 0.0157
Mycobacterium ulcerans transcriptional regulatory protein 0.0034 0.0157 1
Plasmodium falciparum cGMP-dependent protein kinase 0.0034 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0157 0.0394
Loa Loa (eye worm) hypothetical protein 0.0076 0.0669 0.1173
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0051 0.0361 0.0361
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0117 0.7426
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0157 0.0394
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0051 0.0361 0.0361
Onchocerca volvulus Peroxidase homolog 0.0076 0.0669 0.1162
Trypanosoma brucei cAMP response protein 1, putative 0.0034 0.0157 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0051 0.0361 0.0361
Mycobacterium ulcerans transmembrane transport protein 0.0034 0.0157 1
Trypanosoma brucei Flagellar Member 6 0.0034 0.0157 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0051 0.0361 0.0361
Echinococcus granulosus cGMP dependent protein kinase 1 0.0034 0.0157 0.0157

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.