Detailed information for compound 282826

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 209.629 | Formula: C10H8ClNO2
  • H donors: 1 H acceptors: 2 LogP: 2.43 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1c(O)ccn2)Cl
  • InChi: 1S/C10H8ClNO2/c1-14-8-3-2-6(11)10-9(8)7(13)4-5-12-10/h2-5H,1H3,(H,12,13)
  • InChiKey: NVAUPUJRLGTTQI-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 chromatin regulatory protein sir2 0.0123 0.2679 0.2679
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Trypanosoma brucei histone deacetylase 1 0.0065 0.1052 0.3928
Schistosoma mansoni chromatin regulatory protein sir2 0.0104 0.2138 0.7978
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0514 0.1917
Mycobacterium tuberculosis Conserved protein 0.0035 0.0193 0.0353
Giardia lamblia Histone deacetylase 0.0065 0.1052 0.3928
Brugia malayi NAD-dependent deacetylase SIRT1 0.0104 0.2138 0.3202
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Leishmania major silent information regulator 2, putative 0.0123 0.2679 1
Plasmodium falciparum histone deacetylase 1 0.0065 0.1052 1
Giardia lamblia Hypothetical protein 0.0123 0.2679 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0193 0.0722
Loa Loa (eye worm) transcriptional regulator 0.0123 0.2679 0.4014
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Loa Loa (eye worm) histone deacetylase 1 0.0065 0.1052 0.1576
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.5479 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0193 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0065 0.1052 0.1576
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0104 0.2138 0.3202
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Echinococcus granulosus histone deacetylase 3 0.0065 0.1052 0.1052
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0065 0.1052 0.1576
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0514 0.0769
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0193 0.0722
Toxoplasma gondii ABC1 family protein 0.0035 0.0193 0.1838
Loa Loa (eye worm) hypothetical protein 0.0076 0.135 0.2023
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0193 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.4373 0.6551
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0193 0.0193
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0123 0.2679 1
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0123 0.2679 0.2679
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0193 0.029
Brugia malayi beta-lactamase 0.0035 0.0193 0.029
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0193 0.0353
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0065 0.1052 0.1576
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0514 0.1917
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0104 0.2138 0.3202
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0104 0.2138 0.3202
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Loa Loa (eye worm) hypothetical protein 0.0048 0.0571 0.0855
Echinococcus multilocularis histone deacetylase 3 0.0065 0.1052 0.1052
Mycobacterium ulcerans hypothetical protein 0.0035 0.0193 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0193 0.0353
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0571 0.0855
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.2679 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0514 0.0514
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0193 0.0722
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Plasmodium vivax histone deacetylase 1, putative 0.0065 0.1052 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0266 0.6676 1
Loa Loa (eye worm) histone deacetylase 3 0.0065 0.1052 0.1576
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.2679 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0193 0.029
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0123 0.2679 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0266 0.6676 1
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Brugia malayi beta-lactamase family protein 0.0035 0.0193 0.029
Echinococcus multilocularis expressed protein 0.0384 1 1
Schistosoma mansoni histone deacetylase 0.0065 0.1052 0.3928
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0622 0.0932
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0193 0.0353
Leishmania major histone deacetylase, putative 0.0065 0.1052 0.3928
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0193 0.029
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.411 0.6156
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0123 0.2679 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0065 0.1052 0.3928
Brugia malayi beta-lactamase family protein 0.0035 0.0193 0.029
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0193 0.0353
Brugia malayi Histone deacetylase 1 0.0065 0.1052 0.1576
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0104 0.2138 0.7978
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.4373 0.6551
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Brugia malayi histone deacetylase 1 (HD1) 0.0065 0.1052 0.1576
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0123 0.2679 0.4014
Trichomonas vaginalis esterase, putative 0.0035 0.0193 0.029
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0123 0.2679 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0193 0.0353
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0514 0.0514
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0193 0.029
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0193 0.0353
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0514 0.0769
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0571 0.0855
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0104 0.2138 0.2138
Mycobacterium leprae Probable lipase LipE 0.0035 0.0193 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0193 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0193 1
Schistosoma mansoni hypothetical protein 0.0033 0.0141 0.0526
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0193 0.1838
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0571 0.0855
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0123 0.2679 0.2679
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0193 0.029
Echinococcus granulosus histone deacetylase 1 0.0065 0.1052 0.1052
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0514 0.1917
Echinococcus granulosus chromatin regulatory protein sir2 0.0123 0.2679 0.2679
Entamoeba histolytica histone deacetylase, putative 0.0065 0.1052 0.3928
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0193 0.029
Loa Loa (eye worm) hypothetical protein 0.0065 0.1052 0.1576
Loa Loa (eye worm) hypothetical protein 0.0104 0.2138 0.3202
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.6676 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0193 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0141 0.0211
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.2679 1
Leishmania major hypothetical protein, conserved 0.0035 0.0193 0.0722
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0193 0.0193
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0123 0.2679 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0141 0.0211
Leishmania major histone deacetylase, putative 0.0065 0.1052 0.3928
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0193 0.0722
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0514 0.0514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0514 0.0514
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0104 0.2138 0.2138
Trypanosoma cruzi histone deacetylase 1, putative 0.0065 0.1052 0.3928
Brugia malayi Cytochrome P450 family protein 0.005 0.0622 0.0932
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Schistosoma mansoni histone deacetylase 0.0065 0.1052 0.3928
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Loa Loa (eye worm) hypothetical protein 0.0035 0.0193 0.029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0193 0.029
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0193 0.0353
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0193 0.0353
Echinococcus multilocularis histone deacetylase 1 0.0065 0.1052 0.1052
Brugia malayi histone deacetylase 3 (HD3) 0.0065 0.1052 0.1576
Toxoplasma gondii histone deacetylase HDAC3 0.0065 0.1052 1
Onchocerca volvulus Glucosylceramidase homolog 0.0174 0.411 1
Trichomonas vaginalis histone deacetylase, putative 0.0065 0.1052 0.1576
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0104 0.2138 0.3202
Loa Loa (eye worm) beta-lactamase 0.0035 0.0193 0.029
Toxoplasma gondii histone deacetylase HDAC2 0.0065 0.1052 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0123 0.2679 0.4014
Brugia malayi transcriptional regulator, Sir2 family protein 0.0123 0.2679 0.4014
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0193 0.0353
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0193 0.0722

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 30 uM In vitro antitumor activity of the compound against HL60 (Human leukemia) cells. ChEMBL. No reference
IC50 (functional) > 30 uM In vitro antitumor activity of the compound against HL60 (Human leukemia) cells. ChEMBL. No reference
IC50 (functional) > 40 uM In vitro antitumor activity against L1210 (murine leukemia) cells. ChEMBL. No reference
IC50 (functional) > 40 uM In vitro antitumor activity against L1210 (murine leukemia) cells. ChEMBL. No reference
IC50 (functional) > 100 uM Antiviral activity against against herpes simplex virus-1. ChEMBL. No reference
IC50 (functional) > 100 uM Antiviral activity against against herpes simplex virus-2. 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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