Detailed information for compound 232088

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.408 | Formula: C15H18N6OS
  • H donors: 2 H acceptors: 1 LogP: 1.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N/C(=N/N=C\c1ncc(c2c1cccc2N)N1CCOCC1)/S
  • InChi: 1S/C15H18N6OS/c16-11-3-1-2-10-12(8-19-20-15(17)23)18-9-13(14(10)11)21-4-6-22-7-5-21/h1-3,8-9H,4-7,16H2,(H3,17,20,23)/b19-8-
  • InChiKey: JTYROXMHWUPFGM-UWVJOHFNSA-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
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0031 0.0062 0.0181
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0121 0.1926 1
Trichomonas vaginalis thymidine kinase, putative 0.0247 0.4527 0.9981
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0248 0.4536 1
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0079 0.1065 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0039 0.0236 0.039
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0079 0.1065 0.2347
Entamoeba histolytica hypothetical protein 0.0052 0.0498 0.1099
Mycobacterium tuberculosis Probable lipase LipE 0.0031 0.0062 0.0181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Onchocerca volvulus 0.0031 0.0062 0.5
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0079 0.1065 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0031 0.0062 0.0323
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Echinococcus multilocularis snurportin 1 0.0513 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0048 0.0424 0.3604
Loa Loa (eye worm) hypothetical protein 0.0122 0.1954 0.1903
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Trichomonas vaginalis thymidine kinase, putative 0.0247 0.4527 0.9981
Mycobacterium tuberculosis Conserved protein 0.0031 0.0062 0.0181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Brugia malayi RNA, U transporter 1 0.0137 0.2248 1
Entamoeba histolytica hypothetical protein 0.0052 0.0498 0.1099
Trypanosoma cruzi thymidine kinase, putative 0.0247 0.4527 1
Mycobacterium tuberculosis Probable hydrolase 0.0031 0.0062 0.0181
Trichomonas vaginalis importin beta-1, putative 0.0039 0.0236 0.0389
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0513 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0236 0.0521
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0039 0.0236 0.0389
Trypanosoma brucei importin beta-1 subunit, putative 0.0048 0.0424 0.0809
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0079 0.1065 0.2241
Loa Loa (eye worm) hypothetical protein 0.0048 0.0424 0.0364
Leishmania major thymidine kinase, putative 0.0247 0.4527 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0248 0.4536 1
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0079 0.1065 1
Trypanosoma cruzi thymidine kinase, putative 0.0247 0.4527 1
Mycobacterium ulcerans esterase/lipase LipP 0.0031 0.0062 0.0323
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0079 0.1065 1
Echinococcus multilocularis muscleblind protein 0.0122 0.1954 0.1903
Mycobacterium leprae Probable lipase LipE 0.0031 0.0062 0.0323
Echinococcus granulosus importin subunit beta 1 0.0048 0.0424 0.0364
Mycobacterium tuberculosis Conserved protein 0.0031 0.0062 0.0181
Plasmodium vivax importin-beta 2, putative 0.0048 0.0424 0.3604
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0079 0.1065 0.2347
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0195 0.3449 1
Echinococcus granulosus muscleblind protein 0.0122 0.1954 0.1903
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0062 0.0323
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Entamoeba histolytica thymidine kinase, putative 0.0247 0.4527 0.9981
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0079 0.1065 0.2347
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0121 0.1926 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0079 0.1065 0.2347
Schistosoma mansoni importin beta-1 0.0048 0.0424 0.0364
Mycobacterium tuberculosis Probable lipase LipD 0.0031 0.0062 0.0181
Brugia malayi Importin beta-1 subunit 0.0048 0.0424 0.1653
Echinococcus granulosus dUTP pyrophosphatase 0.0079 0.1065 0.1009
Loa Loa (eye worm) hypothetical protein 0.0122 0.1954 0.1903
Treponema pallidum fructose-bisphosphate aldolase 0.0248 0.4536 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0121 0.1926 0.5584
Mycobacterium tuberculosis Conserved protein 0.0031 0.0062 0.0181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0248 0.4536 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0248 0.4536 1
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0079 0.1065 1
Entamoeba histolytica hypothetical protein 0.0079 0.1065 0.2347
Brugia malayi Muscleblind-like protein 0.0122 0.1954 0.8652
Leishmania major importin beta-1 subunit, putative 0.0039 0.0236 0.039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0031 0.0062 0.0181
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0079 0.1065 0.1009
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0039 0.0236 0.0389
Mycobacterium ulcerans hypothetical protein 0.0031 0.0062 0.0323
Mycobacterium ulcerans lipase LipD 0.0031 0.0062 0.0323
Mycobacterium tuberculosis Probable esterase LipL 0.0031 0.0062 0.0181
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0079 0.1065 0.2347
Trypanosoma brucei importin beta-1 subunit, putative 0.0048 0.0424 0.0809
Trichomonas vaginalis thymidine kinase, putative 0.0247 0.4527 0.9981
Entamoeba histolytica hypothetical protein 0.0079 0.1065 0.2347
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0031 0.0062 0.0181
Schistosoma mansoni hypothetical protein 0.0513 1 1
Echinococcus multilocularis dUTP pyrophosphatase 0.0079 0.1065 0.1009
Onchocerca volvulus 0.0031 0.0062 0.5
Brugia malayi dUTP diphosphatase 0.0079 0.1065 0.4586
Loa Loa (eye worm) dUTP diphosphatase 0.0079 0.1065 0.1009
Mycobacterium ulcerans beta-lactamase 0.0031 0.0062 0.0323
Echinococcus multilocularis importin subunit beta 1 0.0048 0.0424 0.0364
Onchocerca volvulus 0.0031 0.0062 0.5
Trypanosoma brucei thymidine kinase 0.0247 0.4527 1
Echinococcus multilocularis muscleblind protein 1 0.0122 0.1954 0.1903
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0079 0.1065 0.2347

Activities

Activity type Activity value Assay description Source Reference
Average weight (functional) = 2 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Average weight (functional) = 2 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Average weight (functional) = 6.8 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Average weight (functional) = 6.8 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Average weight (functional) = 7.3 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Average weight (functional) = 7.3 % antineoplastic activity on the survival time of mice bearing L1210 leukemia. Average weight change of mice from onset to termination of drug treatment. ChEMBL. 7473550
Dose (functional) = 10 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
Dose (functional) = 10 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
Dose (functional) = 20 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
Dose (functional) = 20 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
Dose (functional) = 40 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
Dose (functional) = 40 mg kg-1 antineoplastic activity on the survival time of mice bearing L1210 leukemia. Daily dosage of the compound. ChEMBL. 7473550
T/C (functional) = 138 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550
T/C (functional) = 138 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550
T/C (functional) = 141 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550
T/C (functional) = 141 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550
T/C (functional) = 149 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550
T/C (functional) = 149 % antineoplastic activity on the survival time of mice bearing L1210 leukemia.% T/C represents the ratio of the survival time of treated to control mice * 100. ChEMBL. 7473550

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

1 literature reference was collected for this gene.

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