Detailed information for compound 1058062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 577.023 | Formula: C28H33ClN2O9
  • H donors: 6 H acceptors: 7 LogP: 2.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCNC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2.Cl
  • InChi: 1S/C28H32N2O9.ClH/c1-3-8-30-27(36)28(37)10-15-19(17(11-28)39-18-9-16(29)22(31)12(2)38-18)26(35)21-20(25(15)34)23(32)13-6-4-5-7-14(13)24(21)33;/h4-7,12,16-18,22,31,34-35,37H,3,8-11,29H2,1-2H3,(H,30,36);1H/t12?,16?,17-,18?,22?,28-;/m0./s1
  • InChiKey: ZXRZPQBTGYECEM-CDVRSUMTSA-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
Loa Loa (eye worm) beta-lactamase 0.0086 0.1407 1
Toxoplasma gondii ABC1 family protein 0.0086 0.1407 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0194 0.1382
Trichomonas vaginalis penicillin-binding protein, putative 0.0086 0.1407 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0194 0.1382
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0086 0.1407 1
Onchocerca volvulus 0.0086 0.1407 0.5
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0194 0.5
Echinococcus granulosus geminin 0.0175 0.3075 1
Trichomonas vaginalis esterase, putative 0.0086 0.1407 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0194 0.1336
Trichomonas vaginalis D-aminoacylase, putative 0.0086 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0194 0.1336
Trypanosoma brucei hypothetical protein, conserved 0.0086 0.1407 0.4972
Loa Loa (eye worm) RecQ helicase 0.0021 0.0194 0.1336
Trichomonas vaginalis D-aminoacylase, putative 0.0086 0.1407 1
Brugia malayi beta-lactamase family protein 0.0086 0.1407 1
Echinococcus multilocularis geminin 0.0175 0.3075 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0086 0.1407 0.4564
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0316 0.569 1
Plasmodium vivax hypothetical protein, conserved 0.0086 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0007 0.5
Schistosoma mansoni hypothetical protein 0.0175 0.3075 1
Schistosoma mansoni hypothetical protein 0.0175 0.3075 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0316 0.569 0.4984
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0007 0.0053
Mycobacterium ulcerans lipoprotein LpqF 0.0152 0.2634 0.2864
Onchocerca volvulus 0.0086 0.1407 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0000000011237
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Trypanosoma brucei beta lactamase 0.0152 0.2634 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0194 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0086 0.1407 0.4211
Schistosoma mansoni DNA helicase recq1 0.0021 0.0194 0.061
Onchocerca volvulus 0.0086 0.1407 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0086 0.1407 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0152 0.2634 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0086 0.1407 0.4211
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Brugia malayi beta-lactamase 0.0086 0.1407 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0194 0.5
Schistosoma mansoni DNA helicase recq5 0.0021 0.0194 0.061
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0086 0.1407 1
Entamoeba histolytica recQ family DNA helicase 0.001 0.0007 0.0381
Trichomonas vaginalis penicillin-binding protein, putative 0.0086 0.1407 1
Brugia malayi beta-lactamase family protein 0.0086 0.1407 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0194 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.1407 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0086 0.1407 0.4564
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0007 0.0053
Loa Loa (eye worm) hypothetical protein 0.0086 0.1407 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0194 0.1336
Leishmania major hypothetical protein, conserved 0.0086 0.1407 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0152 0.2634 0.1427

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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