Detailed information for compound 1750394

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 548.501 | Formula: C28H35Cl2N3O4
  • H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](N1C[C@@H](C)[C@H](CN(Cc2ccc(c(c2)Cl)Cl)C)Oc2c(CC1=O)cc(cc2)NC(=O)C1CC1)C
  • InChi: 1S/C28H35Cl2N3O4/c1-17-13-33(18(2)16-34)27(35)12-21-11-22(31-28(36)20-5-6-20)7-9-25(21)37-26(17)15-32(3)14-19-4-8-23(29)24(30)10-19/h4,7-11,17-18,20,26,34H,5-6,12-16H2,1-3H3,(H,31,36)/t17-,18+,26+/m1/s1
  • InChiKey: HSZCUBFTTZDVGX-ZENTWMBTSA-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
Echinococcus granulosus neuroendocrine convertase 2 0.01 0.1952 0.1795
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0042 0.033 0.0141
Echinococcus granulosus sodium:glucose cotransporter 2 0.0042 0.033 0.0141
Echinococcus multilocularis 0.0128 0.2752 0.261
Brugia malayi endoprotease bli-4 precursor 0.0159 0.362 0.3402
Loa Loa (eye worm) endoprotease bli-4 0.0159 0.362 0.3496
Echinococcus granulosus high affinity choline transporter 1 0.0384 1 1
Schistosoma mansoni hypothetical protein 0.0187 0.443 0.443
Echinococcus multilocularis high affinity choline transporter 1 0.0384 1 1
Schistosoma mansoni hypothetical protein 0.0187 0.443 0.443
Schistosoma mansoni furin-1 (S08 family) 0.0069 0.1084 0.1084
Schistosoma mansoni inositol transporter 0.0042 0.033 0.033
Echinococcus granulosus solute carrier family 5 0.0042 0.033 0.0141
Loa Loa (eye worm) hypothetical protein 0.0384 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Echinococcus multilocularis solute carrier family 5 0.0042 0.033 0.0141
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0096 0.186 0.1701
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.186 1
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0042 0.033 0.0141
Schistosoma mansoni high-affinity choline transporter 0.0384 1 1
Onchocerca volvulus 0.0042 0.033 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0096 0.186 0.1701
Echinococcus granulosus furin 0.0159 0.362 0.3496
Echinococcus granulosus sodium:glucose cotransporter 0.0042 0.033 0.0141
Echinococcus multilocularis neuroendocrine convertase 2 0.01 0.1952 0.1795
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Schistosoma mansoni sodium/solute symporter 0.0042 0.033 0.033
Echinococcus multilocularis geminin 0.0187 0.443 0.4321
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0037 0.0192 0.0192
Brugia malayi proprotein convertase 2 0.01 0.1952 0.1677
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Loa Loa (eye worm) hypothetical protein 0.0159 0.362 0.3496
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0042 0.033 0.0141
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0042 0.033 0.0141
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.186 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0042 0.033 0.0141
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0037 0.0192 0.1032
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0042 0.033 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.033 0.0141
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0159 0.362 0.362
Giardia lamblia High cysteine membrane protein Group 2 0.0059 0.08 1
Brugia malayi celfurPC protein 0.0128 0.2752 0.2504
Schistosoma mansoni inositol transporter 0.0042 0.033 0.033
Brugia malayi neuroendocrine convertase 1 precursor 0.01 0.1952 0.1677
Echinococcus granulosus geminin 0.0187 0.443 0.4321
Loa Loa (eye worm) hypothetical protein 0.0062 0.0892 0.0714

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 16.7 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (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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