Detailed information for compound 1150398

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 558.754 | Formula: C34H46N4O3
  • H donors: 1 H acceptors: 4 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1CC[C@]2(C(=C1)CCC1C2=CC[C@]2(C1CC[C@]2(O)C(=O)CN1CCN(CC1)c1cccc(n1)N1CCCC1)C)C
  • InChi: 1S/C34H46N4O3/c1-32-13-10-25(39)22-24(32)8-9-26-27(32)11-14-33(2)28(26)12-15-34(33,41)29(40)23-36-18-20-38(21-19-36)31-7-5-6-30(35-31)37-16-3-4-17-37/h5-7,11,22,26,28,41H,3-4,8-10,12-21,23H2,1-2H3/t26?,28?,32-,33-,34-/m0/s1
  • InChiKey: UPUAOIBNQPKHHU-QLFQIJOPSA-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
Loa Loa (eye worm) hypothetical protein 0.0045 0.1233 0.1422
Schistosoma mansoni hypothetical protein 0.004 0.099 0.1233
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0025 0.0267 0.0332
Brugia malayi RNA binding protein 0.0124 0.4947 0.5702
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0254 0.3325
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0417 0.0519
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Onchocerca volvulus 0.0023 0.0158 0.0158
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0467 0.0582
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0763 0.095
Loa Loa (eye worm) hypothetical protein 0.0032 0.0588 0.0678
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0033 0.0645 0.0803
Loa Loa (eye worm) hypothetical protein 0.0033 0.0645 0.0744
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0645 0.0744
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0158 0.0196
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.147 0.4744
Brugia malayi Fibronectin type III domain containing protein 0.0051 0.1495 0.1724
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1095 0.1364
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Leishmania major hypothetical protein, conserved 0.0035 0.0763 1
Schistosoma mansoni nephrin 0.0033 0.0645 0.0803
Loa Loa (eye worm) hypothetical protein 0.0032 0.0588 0.0678
Echinococcus granulosus tar DNA binding protein 0.0124 0.4947 0.6162
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0254 0.3325
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.2719 0.3387
Schistosoma mansoni tar DNA-binding protein 0.0124 0.4947 0.6162
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Schistosoma mansoni hemicentin 0.0023 0.0158 0.0196
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0763 0.0879
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0254 0.0292
Schistosoma mansoni neuroglian 0.0033 0.0645 0.0803
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0763 0.095
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0033 0.0645 0.0803
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Loa Loa (eye worm) beta-lactamase 0.0035 0.0763 0.0879
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0763 0.0879
Trichomonas vaginalis set domain proteins, putative 0.0232 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.571 0.7111
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.2719 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0488 0.0562
Schistosoma mansoni tar DNA-binding protein 0.0124 0.4947 0.6162
Brugia malayi TAR-binding protein 0.0124 0.4947 0.5702
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Echinococcus granulosus neuroglian 0.0035 0.0746 0.0929
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.003 0.0488 0.0607
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1095 0.036
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0023 0.0158 0.0182
Loa Loa (eye worm) TAR-binding protein 0.0124 0.4947 0.5702
Echinococcus granulosus muscleblind protein 0.016 0.6629 0.8256
Echinococcus multilocularis Immunoglobulin 0.0032 0.0588 0.0733
Brugia malayi Muscleblind-like protein 0.016 0.6629 0.7641
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1095 0.3412
Echinococcus granulosus geminin 0.019 0.8029 1
Entamoeba histolytica hypothetical protein 0.004 0.099 1
Echinococcus granulosus roundabout 2 0.0033 0.0645 0.0803
Brugia malayi protein unc-22 0.0023 0.0158 0.0182
Schistosoma mansoni cell adhesion molecule 0.0023 0.0158 0.0196
Schistosoma mansoni cell adhesion molecule 0.0061 0.1983 0.247
Loa Loa (eye worm) hypothetical protein 0.0053 0.1608 0.1853
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Loa Loa (eye worm) hypothetical protein 0.0035 0.0763 0.0879
Schistosoma mansoni hypothetical protein 0.0037 0.0812 0.1012
Onchocerca volvulus 0.0035 0.0763 0.0763
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0467 0.0582
Echinococcus granulosus Down syndrome cell adhesion molecule 0.003 0.0488 0.0607
Echinococcus multilocularis Immunoglobulin 0.0032 0.0588 0.0733
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0158 0.0182
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.4947 0.5702
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.2719 1
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.5901 0.6801
Schistosoma mansoni hypothetical protein 0.019 0.8029 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2719 1
Loa Loa (eye worm) projectin 0.0023 0.0158 0.0182
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0033 0.0645 0.0803
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.0488 0.0562
Loa Loa (eye worm) hypothetical protein 0.016 0.6629 0.7641
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.2719 0.3387
Onchocerca volvulus 0.0035 0.0763 0.0763
Schistosoma mansoni myosin-binding protein-related 0.0023 0.0158 0.0196
Schistosoma mansoni titin 0.0023 0.0158 0.0196
Schistosoma mansoni transcription factor LCR-F1 0.004 0.099 0.1233
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0158 0.0182
Loa Loa (eye worm) hypothetical protein 0.0051 0.1495 0.1724
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0033 0.0645 0.0744
Brugia malayi hypothetical protein 0.0051 0.1495 0.1724
Brugia malayi hypothetical protein 0.004 0.099 0.1141
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.099 0.1233
Schistosoma mansoni tar DNA-binding protein 0.0124 0.4947 0.6162
Echinococcus multilocularis neuroglian 0.0033 0.0645 0.0803
Brugia malayi beta-lactamase family protein 0.0035 0.0763 0.0879
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0033 0.0645 0.0803
Echinococcus granulosus neuroglian 0.0033 0.0645 0.0803
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0158 0.0182
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 1
Onchocerca volvulus 0.0029 0.0467 0.0467
Brugia malayi hypothetical protein 0.0025 0.0254 0.0292
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.5901 0.7349
Plasmodium vivax SET domain protein, putative 0.0029 0.0467 0.0867
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0342 0.036
Brugia malayi beta-lactamase 0.0035 0.0763 0.0879
Mycobacterium leprae Probable lipase LipE 0.0035 0.0763 0.1768
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1608 0.1853
Brugia malayi Immunoglobulin I-set domain containing protein 0.0048 0.1343 0.1547
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0342 0.036
Echinococcus granulosus Immunoglobulin 0.0032 0.0588 0.0733
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0467 0.0582
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0048 0.1343 0.1547
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0033 0.0645 0.0803
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.8676 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0467 0.0539
Echinococcus granulosus twitchin 0.0035 0.0746 0.0929
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1095 0.3412
Entamoeba histolytica hypothetical protein 0.004 0.099 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.147 0.0786
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0763 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.2719 0.3134
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.147 0.1831
Echinococcus multilocularis muscleblind protein 1 0.016 0.6629 0.8256
Echinococcus granulosus nephrin 0.0023 0.0158 0.0196
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.2719 0.3387
Brugia malayi Pre-SET motif family protein 0.0204 0.8676 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0928 0.2736
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0812 0.0936
Echinococcus multilocularis geminin 0.019 0.8029 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0032 0.0588 0.0733
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0032 0.0588 0.0733
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0033 0.0645 0.0744
Loa Loa (eye worm) RNA binding protein 0.0124 0.4947 0.5702
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0182
Echinococcus multilocularis roundabout 2 0.0065 0.2141 0.2666
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0025 0.0267 0.0332
Echinococcus multilocularis roundabout 2 0.0033 0.0645 0.0803
Schistosoma mansoni cell adhesion molecule 0.0023 0.0158 0.0196
Toxoplasma gondii hypothetical protein 0.0027 0.0342 0.036
Echinococcus multilocularis neuroglian 0.0035 0.0746 0.0929
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0182
Toxoplasma gondii ABC1 family protein 0.0035 0.0763 0.2064
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0645 0.0744
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0033 0.0645 0.0803
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1095 0.036
Echinococcus granulosus titin 0.0023 0.0158 0.0196
Brugia malayi beta-lactamase family protein 0.0035 0.0763 0.0879
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0467 0.0582
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0763 0.2064
Echinococcus granulosus peptidase Clp S14 family 0.005 0.147 0.1831
Entamoeba histolytica hypothetical protein 0.004 0.099 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0467 0.0867
Echinococcus granulosus contactin 0.0033 0.0645 0.0803
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 0.5
Schistosoma mansoni cell adhesion molecule 0.0033 0.0645 0.0803
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0042 0.1076 0.134
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0763 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0032 0.0588 0.0733
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.099 0.1233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0763 0.095
Onchocerca volvulus 0.0023 0.0158 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1608 0.1853
Loa Loa (eye worm) hypothetical protein 0.0051 0.1495 0.1724
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0467 0.0582
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1608 0.1853
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.4947 0.5702
Schistosoma mansoni hypothetical protein 0.019 0.8029 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1495 0.1724
Schistosoma mansoni tyrosine kinase 0.0019 0.0005 0.0006
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.976 1
Schistosoma mansoni hypothetical protein 0.0023 0.0158 0.0196
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0928 0.5
Echinococcus granulosus roundabout 2 0.0065 0.2141 0.2666
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0158 0.0182
Loa Loa (eye worm) hypothetical protein 0.0032 0.0588 0.0678
Brugia malayi Pre-SET motif family protein 0.0029 0.0467 0.0539
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2719 1
Echinococcus granulosus roundabout 2 0.0033 0.0645 0.0803
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.147 0.0786
Schistosoma mansoni ephrin receptor 0.0025 0.0267 0.0332
Schistosoma mansoni cell adhesion molecule 0.0033 0.0645 0.0803
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0023 0.0158 0.0196
Loa Loa (eye worm) acetyltransferase 0.0145 0.5901 0.6801
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0254 0.3325
Onchocerca volvulus 0.0035 0.0763 0.0763
Echinococcus multilocularis roundabout 2 0.0033 0.0645 0.0803
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0467 0.0582
Echinococcus multilocularis titin 0.0023 0.0158 0.0196
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.5901 0.7349
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.0936
Loa Loa (eye worm) hypothetical protein 0.0042 0.1076 0.124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0467 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0124 0.4947 0.6162
Schistosoma mansoni tar DNA-binding protein 0.0124 0.4947 0.6162
Schistosoma mansoni vesicular amine transporter 0.0032 0.0588 0.0733
Loa Loa (eye worm) CAMK protein kinase 0.0023 0.0158 0.0182
Schistosoma mansoni nephrin 0.0054 0.1653 0.2059
Echinococcus granulosus titin 0.0023 0.0158 0.0196
Brugia malayi Probable ClpP-like protease 0.0077 0.2719 0.3134
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0763 0.095
Schistosoma mansoni titin 0.0023 0.0158 0.0196
Echinococcus multilocularis tar DNA binding protein 0.0124 0.4947 0.6162
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0763 1
Entamoeba histolytica hypothetical protein 0.004 0.099 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0763 0.1768
Echinococcus multilocularis muscleblind protein 0.016 0.6629 0.8256
Onchocerca volvulus 0.0023 0.0158 0.0158
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0645 0.0744
Echinococcus granulosus defective proboscis extension response 0.0032 0.0588 0.0733
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2719 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.1495 0.1724
Loa Loa (eye worm) hypothetical protein 0.0045 0.1233 0.1422
Echinococcus multilocularis transfer RNA-Phe 0.0023 0.0158 0.0196
Leishmania major hypothetical protein, conserved 0.0025 0.0254 0.3325
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1095 0.3412
Loa Loa (eye worm) hypothetical protein 0.016 0.6629 0.7641

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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