Detailed information for compound 1709150

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 664.595 | Formula: C32H30F6N4O5
  • H donors: 2 H acceptors: 5 LogP: 1.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.O=C1N(Cc2ccccc2)C(=O)[C@H]2[C@@H]1[C@H](N[C@@]12CCCN(C1=O)Cc1cccn1C)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C30H29F3N4O3.C2HF3O2/c1-35-15-5-9-22(35)18-36-16-6-14-29(28(36)40)24-23(25(34-29)20-10-12-21(13-11-20)30(31,32)33)26(38)37(27(24)39)17-19-7-3-2-4-8-19;3-2(4,5)1(6)7/h2-5,7-13,15,23-25,34H,6,14,16-18H2,1H3;(H,6,7)/t23-,24-,25-,29-;/m1./s1
  • InChiKey: VTAYOJFUISWQIC-OANXMZBQSA-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
Loa Loa (eye worm) hypothetical protein 0.0242 0.2893 0.2893
Echinococcus granulosus Dipeptidyl peptidase 9 0.0235 0.2791 0.2791
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0055 0 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0235 0.2791 1
Onchocerca volvulus 0.0204 0.2308 0.2308
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.07 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0242 0.2893 0.2893
Brugia malayi Protein kinase domain containing protein 0.0059 0.0058 0.0058
Giardia lamblia Alanyl dipeptidyl peptidase 0.0055 0 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0055 0 0.5
Toxoplasma gondii PAN domain-containing protein 0.0684 0.9751 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0055 0 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0059 0.0058 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0235 0.2791 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1376 0.1376
Loa Loa (eye worm) hypothetical protein 0.018 0.193 0.193
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0235 0.2791 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0059 0.0058 1
Leishmania major hypothetical protein, conserved 0.0059 0.0058 0.0209
Echinococcus granulosus tissue type plasminogen activator 0.0059 0.0058 0.0058
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0235 0.2791 0.2862
Loa Loa (eye worm) hypothetical protein 0.0059 0.0058 0.0058
Toxoplasma gondii kringle domain-containing protein 0.0059 0.0058 0.006
Schistosoma mansoni hypothetical protein 0.0059 0.0058 0.0058
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0058 0.0209
Mycobacterium tuberculosis Probable peptidase 0.0055 0 0.5
Brugia malayi Kringle domain containing protein 0.0059 0.0058 0.0058
Echinococcus multilocularis tissue type plasminogen activator 0.0059 0.0058 0.0058
Brugia malayi prolyl oligopeptidase family protein 0.0235 0.2791 0.2791
Entamoeba histolytica hypothetical protein, conserved 0.0055 0 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0055 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0235 0.2791 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0055 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1376 0.1376
Onchocerca volvulus 0.0242 0.2893 0.2893
Onchocerca volvulus 0.0059 0.0058 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.07 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.07 1 1
Brugia malayi hypothetical protein 0.018 0.193 0.193
Brugia malayi MH2 domain containing protein 0.0144 0.1376 0.1376
Loa Loa (eye worm) hypothetical protein 0.0242 0.2893 0.2893
Loa Loa (eye worm) prolyl oligopeptidase 0.07 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0242 0.2893 0.2893
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0235 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0055 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0235 0.2791 0.2791
Loa Loa (eye worm) TK/ROR protein kinase 0.0059 0.0058 0.0058
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0055 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0235 0.2791 0.2791
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.07 1 1
Toxoplasma gondii PAN domain-containing protein 0.0684 0.9751 1
Brugia malayi Trypsin family protein 0.0242 0.2893 0.2893
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0055 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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