Detailed information for compound 985133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.55 | Formula: C31H26N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1c2ccccc2C2(C1=O)N(C(c1ccccc1)C)C(=O)C2(c1ccccc1)c1ccccc1
  • InChi: 1S/C31H26N2O2/c1-22(23-14-6-3-7-15-23)33-28(34)30(24-16-8-4-9-17-24,25-18-10-5-11-19-25)31(33)26-20-12-13-21-27(26)32(2)29(31)35/h3-22H,1-2H3
  • InChiKey: PDPHSUSXXMUFJQ-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
Brugia malayi isocitrate dehydrogenase 0.0017 0.0002 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.192 0.192
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0002 0.0002
Echinococcus granulosus dihydrofolate reductase 0.0187 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0187 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.192 0.192
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1173 0.1173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.192 0.192
Schistosoma mansoni hypothetical protein 0.0037 0.1173 0.1173
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0072 0.3199 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.192 0.192
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.192 0.192
Chlamydia trachomatis dihydrofolate reductase 0.0187 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.2183 0.2183
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0002 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0037 0.1173 0.1173
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.192 0.192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.2183 0.2183
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0072 0.3199 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.192 0.192
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0072 0.3199 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0002
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0002 0.0002
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0072 0.3199 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0002 0.0002
Brugia malayi Dihydrofolate reductase 0.0187 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0072 0.3199 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.2183 0.2183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.192 0.192
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0002
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0072 0.3199 1
Loa Loa (eye worm) dihydrofolate reductase 0.0187 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0187 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0187 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.2183 0.2183
Schistosoma mansoni dihydrofolate reductase 0.0187 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0187 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.192 0.192
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0002 0.0002

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Candida albicans at 100 ug/mL by bioautographic agar overlay method ChEMBL. 18672319

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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