Detailed information for compound 985993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.434 | Formula: C19H16N6O3S
  • H donors: 3 H acceptors: 3 LogP: 0.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=c1[nH]c(=O)c2c([nH]1)nc1c(c2c2ccc(cc2)N2CCOCC2)c(=O)[nH]cn1
  • InChi: 1S/C19H16N6O3S/c26-17-13-12(10-1-3-11(4-2-10)25-5-7-28-8-6-25)14-16(22-15(13)20-9-21-17)23-19(29)24-18(14)27/h1-4,9H,5-8H2,(H3,20,21,22,23,24,26,27,29)
  • InChiKey: VQRCAVCSVDJERN-UHFFFAOYSA-N  

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 multilocularis neuroendocrine convertase 2 0.0778 0.6142 0.7685
Loa Loa (eye worm) hypothetical protein 0.0188 0.1192 0.1192
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0753 0.5927 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0053 0.0061 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0053 0.0061 1
Loa Loa (eye worm) endoprotease bli-4 0.1239 1 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0053 0.0061 1
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0053 0.0061 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0225 0.1501 0.1501
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.024 0.1626 0.2667
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.1239 1 1
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0053 0.0061 1
Toxoplasma gondii subtilisin SUB5 0.0053 0.0061 1
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0053 0.0061 1
Toxoplasma gondii subtilisin SUB4 0.0053 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.1239 1 1
Brugia malayi celfurPC protein 0.0999 0.7992 0.7992
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0225 0.1501 0.1879
Loa Loa (eye worm) hypothetical protein 0.0225 0.1501 0.1501
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Plasmodium vivax subtilisin-like protease 1 0.0053 0.0061 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0778 0.6142 0.6142
Toxoplasma gondii subtilisin SUB7 0.0053 0.0061 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0053 0.0061 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Toxoplasma gondii subtilisin SUB6 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Onchocerca volvulus CoRest homolog 0.0188 0.1192 0.7074
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0753 0.5927 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0061 0.0061
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0053 0.0061 0.0061
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0053 0.0061 0.0061
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0053 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0183 0.1148 0.1148
Echinococcus multilocularis Furin 1 0.0292 0.2069 0.2589
Schistosoma mansoni furin-1 (S08 family) 0.0539 0.4133 0.4133
Echinococcus granulosus Furin 1 0.0292 0.2069 0.2069
Toxoplasma gondii subtilisin SUB1 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Plasmodium falciparum subtilisin-like protease 3 0.0053 0.0061 1
Echinococcus granulosus membrane bound transcription factor site 1 0.0053 0.0061 0.0061
Toxoplasma gondii subtilisin SUB9 0.0053 0.0061 1
Brugia malayi proprotein convertase 2 0.0778 0.6142 0.6142
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Leishmania major subtilisin-like serine peptidase 0.0053 0.0061 1
Toxoplasma gondii subtilisin SUB2 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Chlamydia trachomatis protoporphyrinogen oxidase 0.0046 0 0.5
Brugia malayi SWIRM domain containing protein 0.0244 0.1661 0.1661
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0053 0.0061 0.0061
Toxoplasma gondii subtilisin SUB12 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Toxoplasma gondii subtilisin SUB11 0.0053 0.0061 1
Echinococcus multilocularis 0.0999 0.7992 1
Loa Loa (eye worm) hypothetical protein 0.0486 0.369 0.369
Schistosoma mansoni site-1 peptidase (S08 family) 0.0053 0.0061 0.0061
Echinococcus granulosus lysine specific histone demethylase 1A 0.0225 0.1501 0.1501
Trichomonas vaginalis hypothetical protein 0.024 0.1626 0.2667
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0053 0.0061 1
Loa Loa (eye worm) proprotein convertase 2 0.0292 0.2069 0.2069
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Plasmodium falciparum subtilisin-like protease 1 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0053 0.0061 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Echinococcus granulosus furin 0.1239 1 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0292 0.2069 0.2069
Trypanosoma brucei subtilisin peptidase 0.0053 0.0061 0.5
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0053 0.0061 0.0061
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0753 0.5927 0.7417
Loa Loa (eye worm) subtilase 0.0053 0.0061 0.0061
Plasmodium falciparum subtilisin-like protease 2 0.0053 0.0061 1
Giardia lamblia High cysteine membrane protein Group 2 0.046 0.3475 1
Toxoplasma gondii subtilisin SUB10 0.0053 0.0061 1
Echinococcus granulosus neuroendocrine convertase 2 0.0778 0.6142 0.6142
Plasmodium vivax subtilisin-like protease 2, putative 0.0053 0.0061 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0183 0.1148 0.1148
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0053 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0225 0.1501 0.1501
Schistosoma mansoni site-1 peptidase (S08 family) 0.0053 0.0061 0.0061
Onchocerca volvulus 0.0244 0.1661 1
Schistosoma mansoni hypothetical protein 0.024 0.1626 0.1626
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0053 0.0061 1
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0053 0.0061 1
Toxoplasma gondii subtilisin SUB8 0.0053 0.0061 1
Mycobacterium leprae Possible secreted protease 0.0053 0.0061 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0065 0.0159 0.0159
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.024 0.1626 0.2667
Trypanosoma cruzi subtilisin peptidase 0.0053 0.0061 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0753 0.5927 0.5927
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.024 0.1626 0.2667
Echinococcus multilocularis membrane bound transcription factor site 1 0.0053 0.0061 0.0076
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0053 0.0061 1
Brugia malayi Subtilase family protein 0.0053 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0244 0.1661 0.1661
Plasmodium vivax subtilisin-like serine protease, putative 0.0053 0.0061 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0292 0.2069 0.3423
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0053 0.0061 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.1626 0.2667

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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