Detailed information for compound 2070395

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.379 | Formula: C15H16N4OS
  • H donors: 0 H acceptors: 2 LogP: 2.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1cnn(c1)CC1OCCN(C1)c1nc2c(s1)cccc2
  • InChi: 1S/C15H16N4OS/c1-2-5-14-13(4-1)17-15(21-14)18-8-9-20-12(10-18)11-19-7-3-6-16-19/h1-7,12H,8-11H2
  • InChiKey: SVKGCPPCBDJOEG-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
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0412
Plasmodium falciparum importin beta, putative 0.0029 0.0241 0.4869
Schistosoma mansoni ATPase 0.0038 0.0392 0.0298
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0018 0.003 0.0168
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0298 0.0347
Echinococcus granulosus lamin dm0 0.0033 0.0298 0.0203
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0038 0.0392 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0038 0.0392 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.003 0.0253 0.6163
Brugia malayi hypothetical protein 0.0037 0.0375 0.2116
Brugia malayi RNA, U transporter 1 0.0084 0.1244 0.7013
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.003 0.0253 0.0158
Leishmania major calcium-translocating P-type ATPase 0.0038 0.0392 1
Echinococcus granulosus GPCR family 2 0.0036 0.0354 0.0259
Loa Loa (eye worm) hypothetical protein 0.0033 0.0298 0.0347
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.1775 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0038 0.0392 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0296 0.5161 0.5114
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.003 0.0253 0.0158
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0038 0.0392 1
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0038 0.0392 1
Brugia malayi Na,K-ATPase alpha subunit 0.0092 0.1393 0.7851
Trypanosoma cruzi P-type H+-ATPase, putative 0.0024 0.0139 0.3545
Echinococcus multilocularis calcium transporting atpase 0.003 0.0253 0.0158
Onchocerca volvulus 0.0092 0.1393 0.1322
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0038 0.0392 0.0298
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0038 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0392 0.0457
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1422 0.1338
Schistosoma mansoni hypothetical protein 0.0077 0.1117 0.103
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.0392 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.008 0.117 0.1363
Loa Loa (eye worm) hypothetical protein 0.0113 0.1775 0.2067
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0481 0.8587 0.8573
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1422 0.1338
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0018 0.003 0.0035
Loa Loa (eye worm) hypothetical protein 0.0481 0.8587 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0481 0.8587 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Schistosoma mansoni hypothetical protein 0.0315 0.5509 0.5465
Schistosoma mansoni hypothetical protein 0.0036 0.0354 0.0259
Leishmania major calcium-transporting ATPase, putative 0.003 0.0253 0.5293
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.003 0.0253 0.0158
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0097 0.1849
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1422 0.1338
Schistosoma mansoni importin beta-1 0.0029 0.0241 0.0145
Brugia malayi E1-E2 ATPase family protein 0.0024 0.0139 0.0783
Echinococcus multilocularis lamin 0.0033 0.0298 0.0203
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.003 0.0253 0.0158
Echinococcus granulosus neuropeptide s receptor 0.0476 0.8481 0.8467
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.8481 0.8467
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1422 0.8012
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.003 0.0253 0.0158
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0375 0.0281
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1422 0.1656
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0018 0.003 0.0762
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0021 0.0088 0.2249
Entamoeba histolytica hypothetical protein 0.0037 0.0375 0.9577
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.048 0.8553 1
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0038 0.0392 1
Schistosoma mansoni lamin 0.0033 0.0298 0.0203
Loa Loa (eye worm) E1-E2 ATPase 0.0024 0.0139 0.0162
Schistosoma mansoni transmemberane protein 0.0481 0.8587 0.8573
Trypanosoma brucei calcium-translocating P-type ATPase 0.003 0.0253 0.6163
Echinococcus granulosus Na:K ATPase alpha subunit 0.0084 0.1254 0.1169
Echinococcus granulosus nervana 2 0.0296 0.5161 0.5114
Loa Loa (eye worm) calcium ATPase 0.0021 0.0088 0.0103
Loa Loa (eye worm) hypothetical protein 0.0066 0.0917 0.1068
Brugia malayi Importin beta-1 subunit 0.0029 0.0241 0.1356
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0481 0.8587 0.8573
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0092 0.1393 0.1309
Onchocerca volvulus 0.0481 0.8587 1
Mycobacterium ulcerans proteasome PrcA 0.048 0.8553 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0092 0.1393 0.146
Schistosoma mansoni hypothetical protein 0.0558 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0097 0.247
Echinococcus multilocularis musashi 0.0033 0.0298 0.0203
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1422 0.1338
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0097 0.247
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.003 0.0253 0.6455
Loa Loa (eye worm) hypothetical protein 0.0077 0.1117 0.1301
Brugia malayi intermediate filament protein 0.0033 0.0298 0.1677
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1422 0.1338
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0097 0.0546
Schistosoma mansoni intermediate filament proteins 0.0033 0.0298 0.0203
Trypanosoma brucei P-type H+-ATPase, putative 0.0024 0.0139 0.3012
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0038 0.0392 0.2551
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0481 0.8587 0.8573
Loa Loa (eye worm) hypothetical protein 0.0029 0.0241 0.028
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0298 0.0347
Echinococcus multilocularis nervana 2 0.0481 0.8587 0.8573
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0021 0.0088 0.0497
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.003 0.0253 0.0158
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0038 0.0392 0.0298
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0038 0.0392 0.0298
Entamoeba histolytica hypothetical protein 0.0037 0.0375 0.9577
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0241 0.5818
Onchocerca volvulus 0.0296 0.5161 0.5867
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0354 0.0412
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0296 0.5161 0.5114
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.003 0.0253 0.6455
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.048 0.8553 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0138 0.1381
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0035
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0138 0.1381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1422 0.1338
Schistosoma mansoni ATPase 0.0038 0.0392 0.0298
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0375 0.0281
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0354 0.1993
Echinococcus granulosus intermediate filament protein 0.0033 0.0298 0.0203
Entamoeba histolytica hypothetical protein 0.0037 0.0375 0.9577
Entamoeba histolytica hypothetical protein 0.0037 0.0375 0.9577
Schistosoma mansoni hypothetical protein 0.0558 1 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0097 0.247
Echinococcus multilocularis GPCR, family 2 0.0036 0.0354 0.0259
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0481 0.8587 0.8573
Echinococcus granulosus nervana 2 0.0296 0.5161 0.5114
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0038 0.0392 1
Schistosoma mansoni hypothetical protein 0.0062 0.085 0.076
Echinococcus granulosus importin subunit beta 1 0.0029 0.0241 0.0145
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0038 0.0392 0.0298
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.5509 0.6415
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0138 0.1381
Schistosoma mansoni hypothetical protein 0.0037 0.0375 0.0281
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0241 0.0145
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0296 0.5161 0.5114
Plasmodium vivax P-type ATPase4, putative 0.0038 0.0392 1
Leishmania major P-type H -ATPase, putative 0.0024 0.0139 0.1427
Echinococcus multilocularis lamin dm0 0.0033 0.0298 0.0203
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0375 0.0281
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.003 0.0253 0.0158
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0354 0.0259
Schistosoma mansoni lamin 0.0033 0.0298 0.0203
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0354 0.0259
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.008 0.117 0.6593
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0021 0.0088 0.2249
Loa Loa (eye worm) hypothetical protein 0.0054 0.0697 0.0812
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0084 0.1254 0.1169
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.1775 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0481 0.8587 0.8573
Echinococcus multilocularis nervana 2 0.0296 0.5161 0.5114
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0354 0.1993
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.003 0.0253 0.0158
Leishmania major importin beta-1 subunit, putative 0.0024 0.0138 0.1381
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0481 0.8587 0.8573
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0296 0.5161 0.5114
Echinococcus granulosus nervana 2 0.0481 0.8587 0.8573
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0097 0.0113
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0038 0.0392 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0038 0.0392 0.0298
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0018 0.0021
Schistosoma mansoni hypothetical protein 0.0036 0.0354 0.0259
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0084 0.1254 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0038 0.0392 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0038 0.0392 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0084 0.1254 0.1169
Echinococcus granulosus snurportin 1 0.0315 0.5509 0.5465
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0298 0.1677
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0354 0.0259
Schistosoma mansoni hypothetical protein 0.0036 0.0354 0.0259
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0354 0.0259
Trichomonas vaginalis cation-transporting ATPase, putative 0.0024 0.0139 0.1427
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.1775 0.2067
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.003 0.0253 0.5293
Plasmodium vivax importin-beta 2, putative 0.0029 0.0241 0.4869
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0241 0.6137
Plasmodium falciparum calcium-transporting ATPase 0.003 0.0253 0.5293
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0481 0.8587 0.8573
Loa Loa (eye worm) hypothetical protein 0.0092 0.1393 0.1623
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0038 0.0392 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.003 0.0253 0.1426
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0241 0.5818
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.003 0.0253 0.0158
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.1117 0.6294
Leishmania major P-type ATPase, putative 0.003 0.0253 0.5293
Echinococcus multilocularis geminin 0.0558 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.0354 0.0259
Loa Loa (eye worm) hypothetical protein 0.0068 0.095 0.1107
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.003 0.0253 0.6455
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.8481 0.8467
Toxoplasma gondii P-type ATPase PMA1 0.0024 0.0139 0.3545
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.8481 0.8467
Leishmania major P-type H -ATPase, putative 0.0024 0.0139 0.1427
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0038 0.0392 1
Brugia malayi Membrane calcium atpase protein 3 0.003 0.0253 0.1426
Toxoplasma gondii P-type ATPase4, putative 0.0038 0.0392 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0481 0.8587 0.8573
Echinococcus multilocularis snurportin 1 0.0315 0.5509 0.5465
Echinococcus multilocularis nervana 2 0.0481 0.8587 0.8573
Echinococcus granulosus calcium transporting atpase 0.003 0.0253 0.0158
Trypanosoma brucei P-type H+-ATPase, putative 0.0024 0.0139 0.3012
Trypanosoma cruzi P-type H+-ATPase, putative 0.0024 0.0139 0.3545
Echinococcus granulosus lamin 0.0033 0.0298 0.0203
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0038 0.0392 0.0266
Echinococcus granulosus nervana 2 0.0481 0.8587 0.8573
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0038 0.0392 0.0298
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0092 0.1393 0.1623
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0097 0.247
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1422 0.1338
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0018 0.0103
Plasmodium vivax calcium-transporting ATPase, putative 0.0038 0.0392 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0038 0.0392 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0038 0.0392 1
Leishmania major calcium motive p-type ATPase, putative 0.003 0.0253 0.5293
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0138 0.351
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.003 0.0253 0.135
Loa Loa (eye worm) hypothetical protein 0.0032 0.0287 0.0334
Entamoeba histolytica hypothetical protein 0.0024 0.0138 0.351
Echinococcus multilocularis nervana 2 0.0296 0.5161 0.5114

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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