Detailed information for compound 1200687

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 652.087 | Formula: C33H32ClF2N5O5
  • H donors: 3 H acceptors: 4 LogP: 6.39 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(N(c1c(F)c(Oc2ccc(cc2C(=O)O)C(=O)NCc2ccccc2Cl)nc(c1F)Oc1cccc(c1)C(=N)N)C(C)C)C
  • InChi: 1S/C33H32ClF2N5O5/c1-17(2)41(18(3)4)28-26(35)31(45-22-10-7-9-19(14-22)29(37)38)40-32(27(28)36)46-25-13-12-20(15-23(25)33(43)44)30(42)39-16-21-8-5-6-11-24(21)34/h5-15,17-18H,16H2,1-4H3,(H3,37,38)(H,39,42)(H,43,44)
  • InChiKey: QBDQTVQYUGVOPM-UHFFFAOYSA-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
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1205 0.1051
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1205 0.1439
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0182 0.7069 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0095 0.2816 0.2768
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1205 0.1051
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.1155 0.0997
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0066 0.1373 0.1685
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0066 0.1373 0.123
Schistosoma mansoni hypothetical protein 0.0095 0.2816 0.3791
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1205 0.1439
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0219 0.5
Brugia malayi Kringle domain containing protein 0.0095 0.2816 0.2768
Brugia malayi TAR-binding protein 0.0062 0.1205 0.1051
Echinococcus granulosus geminin 0.0181 0.702 0.7249
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0219 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0095 0.2816 0.2768
Leishmania major hypothetical protein, conserved 0.0095 0.2816 1
Brugia malayi hypothetical protein 0.0233 0.9601 1
Schistosoma mansoni hypothetical protein 0.0048 0.0472 0.0369
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0066 0.1373 0.4443
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1205 0.1439
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0472 0.027
Loa Loa (eye worm) RNA binding protein 0.0062 0.1205 0.1051
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.1251 0.11
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0219 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0095 0.2816 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.1373 0.123
Loa Loa (eye worm) hypothetical protein 0.0095 0.2816 0.2768
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0219 0.5
Brugia malayi Protein kinase domain containing protein 0.0095 0.2816 0.2768
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.1373 0.123
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1205 0.1439
Plasmodium falciparum cysteine repeat modular protein 1 0.0095 0.2816 0.5
Brugia malayi RNA binding protein 0.0062 0.1205 0.1051
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0219 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1205 0.1051
Echinococcus granulosus tissue type plasminogen activator 0.0095 0.2816 0.2768
Schistosoma mansoni hypothetical protein 0.0181 0.702 0.9929
Toxoplasma gondii kringle domain-containing protein 0.0095 0.2816 1
Schistosoma mansoni hypothetical protein 0.0181 0.702 0.9929
Schistosoma mansoni survival motor neuron protein 0.0048 0.0472 0.0369
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.1251 0.11
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.1373 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.1373 0.1373
Loa Loa (eye worm) hypothetical protein 0.0233 0.9601 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.1205 0.1051
Onchocerca volvulus 0.0095 0.2816 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0095 0.2816 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1205 0.1439
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.9601 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.1373 1
Echinococcus multilocularis geminin 0.0181 0.702 0.7249
Schistosoma mansoni lipoxygenase 0.0063 0.1251 0.1506
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0219 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1205 0.1051
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.9601 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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