Detailed information for compound 1019893

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.85 | Formula: C16H18ClN3O3S
  • H donors: 1 H acceptors: 1 LogP: 1.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cncc(c1)OC[C@H]1OCCN(C1)C(=S)NCc1ccco1
  • InChi: 1S/C16H18ClN3O3S/c17-12-6-14(8-18-7-12)23-11-15-10-20(3-5-22-15)16(24)19-9-13-2-1-4-21-13/h1-2,4,6-8,15H,3,5,9-11H2,(H,19,24)/t15-/m0/s1
  • InChiKey: SJUXRFRAZPVSKS-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Leishmania major protein kinase, putative 0.0184 0.6107 0.7769
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0184 0.6107 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0051 0.1272 0.1618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Brugia malayi follicle stimulating hormone receptor 0.0251 0.8508 1
Schistosoma mansoni cytochrome P450 0.0051 0.1272 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0733 0.0733
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0051 0.1272 0.1618
Schistosoma mansoni hypothetical protein 0.0051 0.1272 0.1618
Echinococcus granulosus cytochrome P450 2K1 0.0051 0.1272 0.1618
Giardia lamblia Kinase, CMGC CLK 0.0184 0.6107 0.6107
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0898 0.1143
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0051 0.1272 0.1618
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0113 0.3537 0.4499
Echinococcus granulosus RUN 0.004 0.0898 0.1143
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0051 0.1272 0.2083
Brugia malayi cytochrome P450 0.0051 0.1272 0.1495
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0733 0.0932
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0733 0.12
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0184 0.6107 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0051 0.1272 0.1618
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0898 0.1143
Schistosoma mansoni polycystin 1-related 0.004 0.0898 0.1143
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0051 0.1272 0.1618
Loa Loa (eye worm) hypothetical protein 0.004 0.0898 0.1056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Brugia malayi Cytochrome P450 family protein 0.0051 0.1272 0.1495
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0184 0.6107 0.7179
Loa Loa (eye worm) cytochrome P450 0.0051 0.1272 0.1495
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.4595 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0733 0.0861
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0051 0.1272 0.1618
Onchocerca volvulus 0.004 0.0898 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0733 0.0932
Treponema pallidum fructose-bisphosphate aldolase 0.0292 1 0.5
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0733 0.12
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0233 0.7862 1
Mycobacterium leprae Conserved hypothetical protein 0.0051 0.1272 0.2769
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0898 0.1143
Mycobacterium leprae putative cytochrome p450 0.0051 0.1272 0.2769
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.0898 0.1471
Plasmodium falciparum protein serine/threonine kinase-1 0.0184 0.6107 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0096 0.2902 0.3691
Brugia malayi hypothetical protein 0.004 0.0898 0.1056
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0051 0.1272 0.1618
Trypanosoma cruzi cytochrome P450, putative 0.0096 0.2902 0.4751
Plasmodium falciparum LCCL domain-containing protein 0.004 0.0898 0.1471
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0184 0.6107 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0051 0.1272 0.1618
Leishmania major cytochrome p450-like protein 0.0096 0.2902 0.3691
Brugia malayi Cytochrome P450 family protein 0.0089 0.2657 0.3123
Loa Loa (eye worm) hypothetical protein 0.0045 0.1062 0.1248
Schistosoma mansoni loxhd1 0.004 0.0898 0.1143
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0051 0.1272 0.1618
Trypanosoma brucei cytochrome P450, putative 0.0096 0.2902 0.4751
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0051 0.1272 0.1618
Toxoplasma gondii cytochrome p450 superfamily protein 0.0051 0.1272 0.2083
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0233 0.7862 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0051 0.1272 0.1618
Schistosoma mansoni rab6-interacting 0.004 0.0898 0.1143
Loa Loa (eye worm) hypothetical protein 0.0183 0.6056 0.7119
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0016 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0184 0.6107 0.7179
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0051 0.1272 0.1618
Plasmodium vivax serine/threonine kinase-1, putative 0.0184 0.6107 1
Brugia malayi Doublecortin family protein 0.004 0.0898 0.1056
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0733 0.12
Brugia malayi Cytochrome P450 family protein 0.0096 0.2902 0.3411
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 1 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0184 0.6107 1
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0733 0.0932
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0733 0.0733
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0733 0.0932
Loa Loa (eye worm) hypothetical protein 0.004 0.0898 0.1056
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.4595 0.5845
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0051 0.1272 0.1618
Loa Loa (eye worm) cytochrome P450 family protein 0.0096 0.2902 0.3411
Leishmania major cytochrome p450-like protein 0.0051 0.1272 0.1618
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0233 0.7862 0.9241
Echinococcus multilocularis 0.0183 0.6056 0.7704
Echinococcus multilocularis dual specificity protein kinase clk2 0.0184 0.6107 0.7769
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0184 0.6107 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0051 0.1272 0.1618
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0733 0.0932
Leishmania major protein kinase, putative 0.0184 0.6107 0.7769
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0898 0.1143
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0051 0.1272 0.1618
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0051 0.1272 0.2083
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0051 0.1272 0.2083
Trypanosoma cruzi cytochrome P450, putative 0.0096 0.2902 0.4751
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0233 0.7862 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0089 0.2657 0.3123
Echinococcus granulosus hypothetical protein 0.0183 0.6056 0.7704
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0051 0.1272 0.1618
Echinococcus multilocularis 0.0051 0.1272 0.1618
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0898 0.1143
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0733 0.0733
Echinococcus multilocularis RUN 0.004 0.0898 0.1143
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0051 0.1272 0.1618
Schistosoma mansoni lipoxygenase 0.0113 0.3537 0.4499
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0898 0.1143
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0184 0.6107 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0733 0.0932
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0184 0.6107 1
Onchocerca volvulus 0.004 0.0898 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0233 0.7862 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0051 0.1272 0.1618
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0233 0.7862 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.4595 0.5845
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0051 0.1272 0.1618
Echinococcus granulosus dual specificity protein kinase clk2 0.0184 0.6107 0.7769
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0113 0.3537 0.4499
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0051 0.1272 0.1618
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0051 0.1272 0.1618
Schistosoma mansoni lipoxygenase 0.004 0.0898 0.1143
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.6107 0.7769
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0051 0.1272 0.1618
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0233 0.7862 1
Schistosoma mansoni hypothetical protein 0.004 0.0898 0.1143
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0233 0.7862 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0733 0.0932
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0861
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0051 0.1272 0.1618
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0733 0.0733
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 1 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0051 0.1272 0.1618
Trichomonas vaginalis CMGC family protein kinase 0.0184 0.6107 0.6107
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0733 0.0932
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0217 0.7294 0.8574
Brugia malayi hypothetical protein 0.004 0.0898 0.1056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0733 0.0733
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0051 0.1272 0.1618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 1 1
Leishmania major cytochrome p450-like protein 0.0051 0.1272 0.1618
Brugia malayi Cytochrome P450 family protein 0.0096 0.2902 0.3411
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0051 0.1272 0.1618
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0051 0.1272 0.1618
Loa Loa (eye worm) cytochrome P450 family protein 0.0096 0.2902 0.3411
Loa Loa (eye worm) doublecortin family protein 0.004 0.0898 0.1056
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0733 0.0932
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0251 0.8508 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0051 0.1272 0.1618
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.6107 0.7769
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0051 0.1272 0.1618
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0051 0.1272 0.2083
Schistosoma mansoni rab6-interacting 0.004 0.0898 0.1143
Loa Loa (eye worm) CYP4Cod1 0.0096 0.2902 0.3411

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.