Detailed information for compound 816102

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.904 | Formula: C18H22ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(n1cc(C(=O)NCc2ccc(s2)Cl)c(=O)c(c1)C(=O)NCC)CC
  • InChi: 1S/C18H22ClN3O3S/c1-4-11(3)22-9-13(17(24)20-5-2)16(23)14(10-22)18(25)21-8-12-6-7-15(19)26-12/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,24)(H,21,25)
  • InChiKey: WLLURASKSMXNOK-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.196 0.2638
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.1352 0.1819
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.196 0.196
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.743 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2469 0.2469
Loa Loa (eye worm) hypothetical protein 0.0164 0.8586 0.8586
Brugia malayi TAR-binding protein 0.0062 0.2914 0.2914
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.7207 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.3521 0.3521
Echinococcus granulosus GPCR family 2 0.0034 0.1352 0.1875
Schistosoma mansoni hypothetical protein 0.0034 0.1352 0.1819
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0822 0.1141
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2914 0.2914
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.196 0.272
Brugia malayi hypothetical protein 0.0035 0.1411 0.1411
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.5173 0.6963
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.196 0.272
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2914 0.3922
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.1352 0.1819
Giardia lamblia Kinase, PLK 0.0102 0.5173 1
Brugia malayi hypothetical protein 0.0054 0.2469 0.2469
Echinococcus granulosus tar DNA binding protein 0.0062 0.2914 0.4043
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.23 0.1431
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2914 0.3922
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2914 0.3922
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.1352 0.1875
Loa Loa (eye worm) hypothetical protein 0.0073 0.3521 0.3521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.196 0.2638
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0822 0.1107
Loa Loa (eye worm) RNA binding protein 0.0062 0.2914 0.2914
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.5173 0.5173
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1352 0.1352
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.5173 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.1352 0.1875
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.196 0.2638
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2914 0.3922
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.5173 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.23 0.1431
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0189 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.539 0.539
Schistosoma mansoni hypothetical protein 0.0024 0.0822 0.1107
Echinococcus multilocularis GPCR, family 2 0.0034 0.1352 0.1819
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2914 0.3922
Loa Loa (eye worm) acetyltransferase 0.0143 0.743 0.743
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.2469 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.2469 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.2469 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.1352 0.1352
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.743 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.539 0.539
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.5173 0.5173
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.196 0.2638
Brugia malayi RNA binding protein 0.0062 0.2914 0.2914
Schistosoma mansoni kinase 0.0052 0.2375 0.3196
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.182 0.7368
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.182 0.2525
Onchocerca volvulus 0.0164 0.8586 0.8586
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.743 0.743
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.182 0.7368
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.1352 0.1352
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.1352 0.1352
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.5173 0.7178
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2914 0.2914
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.539 0.539
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.5173 0.6963
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.196 0.196
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.2469 1
Schistosoma mansoni hypothetical protein 0.0034 0.1352 0.1819
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.196 0.2638
Schistosoma mansoni hypothetical protein 0.0034 0.1352 0.1819
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2914 0.3922
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.5173 0.5173
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.539 0.539
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.5173 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2914 0.2914
Brugia malayi hypothetical protein 0.0164 0.8586 0.8586
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1
Schistosoma mansoni hypothetical protein 0.0073 0.3521 0.4739
Schistosoma mansoni hypothetical protein 0.0034 0.1352 0.1819
Trypanosoma brucei polo-like protein kinase 0.0102 0.5173 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.5173 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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