Detailed information for compound 1169876

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 597.744 | Formula: C36H43N3O5
  • H donors: 1 H acceptors: 2 LogP: 5.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](N1C[C@H](C)[C@H](OCc2c(c3c(C1=O)n(C)c1c3cccc1)cccc2)CN(Cc1cccc2c1OCCCO2)C)C
  • InChi: 1S/C36H43N3O5/c1-24-19-39(25(2)22-40)36(41)34-33(29-14-7-8-15-30(29)38(34)4)28-13-6-5-11-27(28)23-44-32(24)21-37(3)20-26-12-9-16-31-35(26)43-18-10-17-42-31/h5-9,11-16,24-25,32,40H,10,17-23H2,1-4H3/t24-,25-,32+/m0/s1
  • InChiKey: SEJLCTYRTRPGEU-PNRGXICFSA-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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.435 0.435
Schistosoma mansoni hypothetical protein 0.0113 0.321 0.321
Brugia malayi TAR-binding protein 0.0062 0.1434 0.3297
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0996
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0866 0.0866
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 1 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0616 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0113 0.321 0.321
Brugia malayi Importin beta-1 subunit 0.0029 0.0266 0.0611
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0996
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0866 0.0866
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1434 0.1434
Echinococcus granulosus importin subunit beta 1 0.0029 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Onchocerca volvulus 0.0039 0.0616 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0113 0.321 0.321
Loa Loa (eye worm) hypothetical protein 0.0098 0.2669 0.2669
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.271 0.623
Loa Loa (eye worm) hypothetical protein 0.0036 0.0527 0.0527
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1434 0.3297
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1434 0.1434
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0266 0.4313
Entamoeba histolytica hypothetical protein 0.0113 0.321 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0351 0.0808
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0099 0.271 0.271
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0616 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.4207 0.4207
Onchocerca volvulus 0.0039 0.0616 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0866 0.0866
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.1514 0.1514
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0757 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0616 0.0616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0866 0.0866
Schistosoma mansoni transient receptor potential channel 0.0065 0.1514 0.1514
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0616 0.0616
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0616 0.814
Mycobacterium leprae Probable lipase LipE 0.0039 0.0616 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0757 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1434 0.1434
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1434 0.1434
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.7925 1
Schistosoma mansoni lipoxygenase 0.0119 0.3402 0.3402
Mycobacterium ulcerans hypothetical protein 0.0039 0.0616 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1434 0.1434
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.435 0.435
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0632 1
Schistosoma mansoni transient receptor potential channel 4 0.0098 0.2669 0.2669
Echinococcus multilocularis GPCR, family 2 0.0031 0.0351 0.0351
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0236 0.0236
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0266 0.3511
Brugia malayi Cytochrome P450 family protein 0.0028 0.0236 0.0542
Brugia malayi beta-lactamase family protein 0.0039 0.0616 0.1416
Trichomonas vaginalis esterase, putative 0.0039 0.0616 0.814
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0351 0.0351
Brugia malayi beta-lactamase 0.0039 0.0616 0.1416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0866 0.0866
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0616 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0616 0.814
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0616 0.1416
Loa Loa (eye worm) hypothetical protein 0.0068 0.1618 0.1618
Loa Loa (eye worm) hypothetical protein 0.0031 0.0351 0.0351
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.1514 0.1514
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0266 0.4313
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0616 0.0616
Echinococcus granulosus tar DNA binding protein 0.0062 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0061 0.1401 0.1401
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0616 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0616 1
Onchocerca volvulus 0.0039 0.0616 0.5
Leishmania major hypothetical protein, conserved 0.0039 0.0616 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.3402 0.3402
Echinococcus granulosus transient receptor potential gamma protein 0.0098 0.2669 0.2669
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.271 0.271
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.271 0.623
Plasmodium vivax importin-beta 2, putative 0.0029 0.0266 0.3511
Loa Loa (eye worm) acetyltransferase 0.0146 0.435 0.435
Loa Loa (eye worm) beta-lactamase 0.0039 0.0616 0.0616
Mycobacterium ulcerans lipase LipD 0.0039 0.0616 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1434 0.1434
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1434 0.1434
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0075 0.1223
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0113 0.321 0.321
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0616 0.814
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0632 0.1968
Toxoplasma gondii ABC1 family protein 0.0039 0.0616 0.814
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.2555 0.2555
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0075 0.0996
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Schistosoma mansoni lipoxygenase 0.0083 0.2155 0.2155
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0351 0.0351
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.1514 0.1514
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.3402 0.3402
Entamoeba histolytica hypothetical protein 0.0113 0.321 1
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.435 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1618 0.372
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0632 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0098 0.2669 0.2669
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0351 0.0351
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0351 0.0351
Entamoeba histolytica hypothetical protein 0.0023 0.0075 0.0235
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0351 0.0351
Echinococcus granulosus GPCR family 2 0.0031 0.0351 0.0351
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0866 0.0866
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0866 0.0866
Loa Loa (eye worm) hypothetical protein 0.0039 0.0616 0.0616
Brugia malayi hypothetical protein 0.0113 0.321 0.7379
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.1514 0.1514
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0757 1
Schistosoma mansoni hypothetical protein 0.0308 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0351 0.0351
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0757 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.1434 0.1434
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0616 0.0616
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0616 1
Brugia malayi beta-lactamase family protein 0.0039 0.0616 0.1416
Schistosoma mansoni transient receptor potential channel 0.0098 0.2669 0.2669
Mycobacterium ulcerans beta-lactamase 0.0039 0.0616 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0757 0.0757
Brugia malayi RNA, U transporter 1 0.0082 0.2121 0.4875
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0527 0.1212
Leishmania major importin beta-1 subunit, putative 0.0023 0.0075 0.1223
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0527 0.0527
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0616 0.814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0866 0.0866
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0757 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0866 0.1991
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0266 0.0266
Plasmodium falciparum importin beta, putative 0.0029 0.0266 0.4204
Loa Loa (eye worm) hypothetical protein 0.0029 0.0266 0.0266
Entamoeba histolytica hypothetical protein 0.0113 0.321 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0616 0.814
Schistosoma mansoni hypothetical protein 0.0031 0.0351 0.0351
Schistosoma mansoni transient receptor potential channel 0.0065 0.1514 0.1514
Schistosoma mansoni hypothetical protein 0.0031 0.0351 0.0351
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.2555 0.2555
Schistosoma mansoni importin beta-1 0.0029 0.0266 0.0266
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0616 0.814
Brugia malayi RNA binding protein 0.0062 0.1434 0.3297
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0033 0.0414 0.0414
Schistosoma mansoni hypothetical protein 0.0031 0.0351 0.0351
Entamoeba histolytica hypothetical protein 0.0113 0.321 1
Schistosoma mansoni hypothetical protein 0.0068 0.1618 0.1618
Echinococcus multilocularis snurportin 1 0.0308 1 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0527 0.0527
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0351 0.0808

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.