Detailed information for compound 1467320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.966 | Formula: C24H30ClN3O3
  • H donors: 3 H acceptors: 2 LogP: 4.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)OCc1ccccc1)NC(=O)C(=O)NC1CC(C)(C)NC(C1)(C)C
  • InChi: 1S/C24H30ClN3O3/c1-23(2)13-18(14-24(3,4)28-23)26-21(29)22(30)27-19-11-10-17(25)12-20(19)31-15-16-8-6-5-7-9-16/h5-12,18,28H,13-15H2,1-4H3,(H,26,29)(H,27,30)
  • InChiKey: ZPZYWBPZBOYRIH-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 stromal interaction molecule 1 0.0063 0.0757 0.0758
Echinococcus granulosus liprin beta 1 0.0063 0.0757 0.0758
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0063 0.0757 0.0745
Schistosoma mansoni wnt related 0.013 0.1702 0.1692
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0102 0.1307 0.1296
Brugia malayi Wnt-2 protein precursor 0.013 0.1702 0.1726
Trichomonas vaginalis ankyrin, putative 0.0011 0.0013 0.0097
Schistosoma mansoni wnt related 0.013 0.1702 0.1692
Brugia malayi Neurabin protein 1 0.0063 0.0757 0.0768
Loa Loa (eye worm) hypothetical protein 0.013 0.1702 0.1857
Trichomonas vaginalis unc-44 ankyrins, putative 0.0011 0.0013 0.0097
Plasmodium vivax tyrosine kinase-like protein, putative 0.0063 0.0757 0.5
Echinococcus multilocularis liprin alpha 2 0.0063 0.0757 0.0758
Brugia malayi WGR domain containing protein 0.0102 0.1307 0.1325
Trichomonas vaginalis ankyrin repeat and FYVE domain containing protein, putative 0.0011 0.0013 0.0097
Giardia lamblia Kinase, NEK 0.0011 0.0013 0.5
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0102 0.1307 0.1309
Trichomonas vaginalis 2-5A-dependent ribonuclease, putative 0.0011 0.0013 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Schistosoma mansoni sarm1 0.0063 0.0757 0.0745
Brugia malayi wnt family protein 0.013 0.1702 0.1726
Echinococcus multilocularis SAM domain containing protein 0.0063 0.0757 0.0758
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Schistosoma mansoni wnt related 0.013 0.1702 0.1692
Echinococcus granulosus Ankyrin 0.0011 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0757 0.5791
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0011 0.0013 0.0097
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0011 0.0013 0.0013
Schistosoma mansoni wnt-5 0.013 0.1702 0.1692
Loa Loa (eye worm) hypothetical protein 0.0102 0.1307 0.1423
Brugia malayi hypothetical protein 0.0063 0.0757 0.0768
Echinococcus multilocularis Ankyrin 0.0011 0.0014 0.0014
Schistosoma mansoni lip-related protein (liprin) alpha 0.0063 0.0757 0.0745
Echinococcus multilocularis protein Wnt 1 0.013 0.1702 0.1705
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0063 0.0757 0.0758
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0011 0.0013 0.0097
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0102 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0757 0.0817
Entamoeba histolytica hypothetical protein 0.0102 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.1702 0.1857
Schistosoma mansoni hypothetical protein 0.0063 0.0757 0.0745
Schistosoma mansoni hypothetical protein 0.0063 0.0757 0.0745
Loa Loa (eye worm) hypothetical protein 0.013 0.1702 0.1857
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Brugia malayi hypothetical protein 0.0063 0.0757 0.0768
Onchocerca volvulus 0.0063 0.0757 0.00000011832
Plasmodium falciparum protein kinase, putative 0.0063 0.0757 0.5
Brugia malayi Liprin-alpha 2 0.0063 0.0757 0.0768
Entamoeba histolytica hypothetical protein 0.0102 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0757 0.0817
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0014 0.0109
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0063 0.0757 0.0817
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0757 0.5791
Echinococcus granulosus Sterile alpha motif SAM 0.0063 0.0757 0.0758
Brugia malayi Wnt-4 protein precursor 0.013 0.1702 0.1726
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0102 0.1307 1
Trichomonas vaginalis unc-44 ankyrins, putative 0.0011 0.0013 0.0097
Echinococcus granulosus Protein Wnt-111 0.013 0.1702 0.1705
Trichomonas vaginalis ankyrin, putative 0.0011 0.0014 0.0109
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Echinococcus multilocularis wnt family member wnt11 2 0.013 0.1702 0.1705
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Echinococcus multilocularis liprin beta 1 0.0063 0.0757 0.0758
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0063 0.0757 0.5791
Trichomonas vaginalis protein phosphatase 1 regulatory subunit 12C, putative 0.0011 0.0013 0.0097
Brugia malayi wnt family protein 0.013 0.1702 0.1726
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0757 0.5791
Loa Loa (eye worm) hypothetical protein 0.0063 0.0757 0.0817
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0011 0.0013 0.0097
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0011 0.0014 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0063 0.0757 0.0768
Loa Loa (eye worm) hypothetical protein 0.0063 0.0757 0.0817
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0011 0.0013 0.0013
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Echinococcus multilocularis WNT 0.013 0.1702 0.1705
Plasmodium falciparum tyrosine kinase-like protein 0.0063 0.0757 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Echinococcus multilocularis tankyrase 0.0715 0.9986 1
Entamoeba histolytica hypothetical protein 0.0102 0.1307 0.5
Echinococcus granulosus poly adp ribose polymerase 2 0.0102 0.1307 0.1309
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0102 0.1307 0.5
Echinococcus granulosus protein Wnt 1 0.013 0.1702 0.1705
Echinococcus granulosus Protein Wnt-5 0.013 0.1702 0.1705
Echinococcus granulosus poly ADP ribose polymerase 1 0.0102 0.1307 0.1309
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0757 0.5791
Entamoeba histolytica hypothetical protein 0.0102 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.1702 0.1857
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Loa Loa (eye worm) CWN-2 protein 0.013 0.1702 0.1857
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0102 0.1307 0.1423
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0102 0.1307 0.1296
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0102 0.1307 0.1309
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Trichomonas vaginalis ion channel nompc, putative 0.0011 0.0013 0.0097
Loa Loa (eye worm) hypothetical protein 0.0541 0.7519 0.8257
Brugia malayi Patatin-like phospholipase family protein 0.0011 0.0013 0.0013
Giardia lamblia Kinase, NEK 0.0011 0.0013 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Echinococcus multilocularis wingless type MMTV integration site family 0.013 0.1702 0.1705
Brugia malayi coiled-coil like protein 1 0.0063 0.0757 0.0768
Brugia malayi wnt family protein 0.013 0.1702 0.1726
Echinococcus multilocularis protein Wnt 2 0.013 0.1702 0.1705
Loa Loa (eye worm) wnt-4 protein 0.013 0.1702 0.1857
Echinococcus granulosus liprin alpha 2 0.0063 0.0757 0.0758
Echinococcus granulosus Protein Wnt-11b 0.013 0.1702 0.1705
Loa Loa (eye worm) hypothetical protein 0.0063 0.0757 0.0817
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0102 0.1307 1
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0102 0.1307 0.1309
Brugia malayi wnt family protein 0.013 0.1702 0.1726
Schistosoma mansoni hypothetical protein 0.0063 0.0757 0.0745
Brugia malayi Tnks protein 0.0707 0.9861 1
Loa Loa (eye worm) hypothetical protein 0.013 0.1702 0.1857
Echinococcus granulosus stromal interaction molecule 1 0.0063 0.0757 0.0758
Echinococcus multilocularis WNT 0.013 0.1702 0.1705
Trypanosoma brucei poly(adp-ribose) polymerase 0.0102 0.1307 1
Onchocerca volvulus Tankyrase homolog 0.0642 0.8951 1
Schistosoma mansoni wnt related 0.013 0.1702 0.1692
Entamoeba histolytica zinc finger protein, putative 0.0102 0.1307 0.5
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0063 0.0757 0.0758
Schistosoma mansoni hypothetical protein 0.0063 0.0757 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1307 1
Leishmania major huntingtin interacting protein (HIP), putative 0.0011 0.0013 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0011 0.0013 0.0097
Echinococcus granulosus Protein Wnt-04 0.013 0.1702 0.1705
Echinococcus granulosus SAM domain containing protein 0.0063 0.0757 0.0758
Echinococcus granulosus protein Wnt 2 0.013 0.1702 0.1705
Loa Loa (eye worm) Wnt2 protein 0.013 0.1702 0.1857
Echinococcus granulosus tankyrase 0.0715 0.9986 1
Loa Loa (eye worm) tnks protein 0.0653 0.9103 1
Brugia malayi WGR domain containing protein 0.0102 0.1307 0.1325
Trichomonas vaginalis multiple ankyrin repeats single kh domain protein, putative 0.0011 0.0013 0.0097

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs ChEMBL. 21169023

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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