Detailed information for compound 1805585

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.23 | Formula: C15H11BrN2OS
  • H donors: 0 H acceptors: 1 LogP: 4.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)sc(n2)/N=C/c1ccc(cc1)Br
  • InChi: 1S/C15H11BrN2OS/c1-19-12-6-7-13-14(8-12)20-15(18-13)17-9-10-2-4-11(16)5-3-10/h2-9H,1H3/b17-9+
  • InChiKey: VLMNHXZJFXAYGU-RQZCQDPDSA-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 granulosus mitogen activated protein kinase 3 0.005 0.69 0.69
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Mycobacterium leprae putative cytochrome p450 0.0023 0.1562 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.69 0.69
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0023 0.1562 0.1562
Loa Loa (eye worm) hypothetical protein 0.0019 0.0762 0.0835
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0066 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.5309 0.444
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.69 0.69
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0023 0.1562 0.1562
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 1 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.69 0.69
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.3992 0.5785
Echinococcus multilocularis dna polymerase kappa 0.0042 0.5309 0.5309
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0042 0.5214 0.7557
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0023 0.1562 0.2264
Loa Loa (eye worm) cytochrome P450 0.0023 0.1562 0.1711
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.042 0.0609
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0023 0.1562 0.1562
Brugia malayi Cytochrome P450 family protein 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.042 0.0609
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma brucei cytochrome P450, putative 0.0042 0.5214 0.7557
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0023 0.1562 0.1562
Brugia malayi polk-prov protein 0.0032 0.3316 0.3316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 1 1
Echinococcus granulosus cytochrome P450 2K1 0.0023 0.1562 0.1562
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.69 1
Schistosoma mansoni cytochrome P450 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1317 0.1909
Echinococcus granulosus dna polymerase kappa 0.0042 0.5309 0.5309
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0023 0.1562 0.1562
Trichomonas vaginalis CMGC family protein kinase 0.005 0.69 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.1317 0.1317
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.5309 0.7694
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0023 0.1562 0.2264
Schistosoma mansoni serine/threonine protein kinase 0.005 0.69 0.69
Mycobacterium leprae Conserved hypothetical protein 0.0023 0.1562 0.5
Trypanosoma brucei unspecified product 0.0035 0.3992 0.5785
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.69 0.7556
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0023 0.1562 0.1562
Brugia malayi MAP kinase sur-1 0.005 0.69 0.69
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.042 0.0609
Trichomonas vaginalis CMGC family protein kinase 0.005 0.69 1
Leishmania major DNA polymerase kappa, putative 0.0022 0.1317 0.1317
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.5214 0.5709
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0023 0.1562 0.1562
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.1317 0.1317
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.1562 0.1711
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0042 0.5214 0.4328
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.9132 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0023 0.1562 0.1562
Brugia malayi Cytochrome P450 family protein 0.0023 0.1562 0.1562
Brugia malayi cytochrome P450 0.0023 0.1562 0.1562
Trichomonas vaginalis CMGC family protein kinase 0.005 0.69 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.5309 0.7694
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.69 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.69 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 1 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.69 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.69 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3316 0.4806
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.69 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0023 0.1562 0.2264
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.69 1
Brugia malayi Cytochrome P450 family protein 0.0042 0.5214 0.5214
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0023 0.1562 0.1562
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.69 0.69
Trypanosoma brucei protein kinase, putative 0.005 0.69 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0023 0.1562 0.1562
Brugia malayi Cytochrome P450 family protein 0.0042 0.5214 0.5214
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0023 0.1562 0.2264
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3316 0.4806
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Loa Loa (eye worm) CYP4Cod1 0.0042 0.5214 0.5709
Trypanosoma cruzi cytochrome P450, putative 0.0042 0.5214 0.7557
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0066 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.5214 0.5709
Leishmania major cytochrome p450-like protein 0.0023 0.1562 0.1562
Loa Loa (eye worm) hypothetical protein 0.0032 0.3316 0.3631
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.5309 0.444
Schistosoma mansoni hypothetical protein 0.0023 0.1562 0.1562
Echinococcus multilocularis 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694
Giardia lamblia Kinase, CMGC MAPK 0.005 0.69 1
Leishmania major cytochrome p450-like protein 0.0042 0.5214 0.5214
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0023 0.1562 0.1562
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.69 0.69
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0023 0.1562 0.1562
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0023 0.1562 0.1562
Leishmania major cytochrome p450-like protein 0.0023 0.1562 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.5309 0.7694

Activities

No activities found for this compound.

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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