Detailed information for compound 2089921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 569.691 | Formula: C34H39N3O5
  • H donors: 1 H acceptors: 3 LogP: 5.28 Rotable bonds: 7
    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(C(=O)Oc1ccc(cc1)C)C)C
  • InChi: 1S/C34H39N3O5/c1-22-14-16-26(17-15-22)42-34(40)35(4)19-30-23(2)18-37(24(3)20-38)33(39)32-31(27-11-7-6-10-25(27)21-41-30)28-12-8-9-13-29(28)36(32)5/h6-17,23-24,30,38H,18-21H2,1-5H3/t23-,24+,30+/m0/s1
  • InChiKey: QTCNHWMCPMTVQP-FVBCXUTKSA-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
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.113 0.9813 0.9813
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.1145 1 1
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.1145 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.113 0.9813 1
Leishmania major branched-chain amino acid aminotransferase, putative 0.1145 1 1
Echinococcus granulosus thymidylate synthase 0.113 0.9813 0.5
Entamoeba histolytica branched-chain amino acid aminotransferase, putative 0.1145 1 0.5
Echinococcus multilocularis thymidylate synthase 0.113 0.9813 0.5
Trichomonas vaginalis subgroup IIIi aminotransferase, putative 0.1145 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.113 0.9813 0.9813
Toxoplasma gondii Branched-chain-amino-acid aminotransferase 0.1145 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.113 0.9813 1
Mycobacterium ulcerans branched-chain amino acid aminotransferase 0.1145 1 1
Onchocerca volvulus 0.113 0.9813 0.5
Giardia lamblia Branched-chain amino acid aminotransferase lateral transfer candidate 0.1145 1 1
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.1145 1 1
Brugia malayi thymidylate synthase 0.113 0.9813 0.9749
Mycobacterium leprae PROBABLE BRANCHED-CHAIN AMINO ACID TRANSAMINASE ILVE 0.1145 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.113 0.9813 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.113 0.9813 0.9813
Loa Loa (eye worm) branched-chain amino acid aminotransferase 0.1145 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0538 0.2558 0.2558
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.113 0.9813 1
Trichomonas vaginalis branched-chain amino acid aminotransferase, putative 0.1145 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0538 0.2558 0.2606
Leishmania major dihydrofolate reductase-thymidylate synthase 0.113 0.9813 0.9813
Mycobacterium ulcerans thymidylate synthase 0.113 0.9813 0.9813
Mycobacterium tuberculosis Branched-chain amino acid transaminase IlvE 0.1145 1 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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