Detailed information for compound 947003

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.393 | Formula: C19H21FN4O3
  • H donors: 2 H acceptors: 4 LogP: -0.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC=C1CCN(CC1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1
  • InChi: 1S/C19H21FN4O3/c20-15-9-13-16(25)14(19(26)27)10-24(12-1-2-12)17(13)22-18(15)23-7-4-11(3-6-21)5-8-23/h3,9-10,12H,1-2,4-8,21H2,(H,26,27)
  • InChiKey: HMZJNAZJZTUHNB-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 chromobox protein 0.0074 0.021 0.0203
Loa Loa (eye worm) ICD-1 protein 0.0038 0.0041 0.0034
Echinococcus multilocularis lysine specific demethylase 5A 0.0098 0.032 0.0313
Echinococcus multilocularis chromobox protein 1 0.0074 0.021 0.0203
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0081 0.0073
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0168 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Trichomonas vaginalis chromobox protein, putative 0.0074 0.021 0.1768
Echinococcus multilocularis geminin 0.0176 0.0687 0.068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0081 0.0073
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0072 0.0604
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0168 0.016
Brugia malayi jmjC domain containing protein 0.0162 0.0621 0.0614
Schistosoma mansoni hypothetical protein 0.0141 0.0523 0.0516
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0168 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0057 0.005
Echinococcus granulosus geminin 0.0176 0.0687 0.068
Echinococcus multilocularis Protein lozenge 0.0059 0.014 0.0132
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0057 0.0483
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0827 0.3738 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2163 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0041 0.0348
Plasmodium falciparum basic transcription factor 3b, putative 0.0038 0.0041 0.0091
Echinococcus granulosus dihydrofolate reductase 0.2163 1 1
Schistosoma mansoni transcription factor btf3 0.0038 0.0041 0.0034
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0214 0.0207
Entamoeba histolytica hypothetical protein 0.0075 0.0214 1
Brugia malayi hypothetical protein 0.0242 0.0994 0.0988
Entamoeba histolytica hypothetical protein 0.0075 0.0214 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0081 0.0073
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.078 0.6556
Entamoeba histolytica hypothetical protein 0.0075 0.0214 1
Echinococcus granulosus transcription factor btf3 0.0038 0.0041 0.0034
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0509 0.0502
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0527 0.052
Loa Loa (eye worm) hypothetical protein 0.0033 0.0015 0.0007
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0072 0.0311
Schistosoma mansoni hypothetical protein 0.0065 0.0168 0.016
Toxoplasma gondii NAC domain-containing protein 0.0038 0.0041 0.0091
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0827 0.3738 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0206 0.0829 0.0822
Echinococcus granulosus lysine specific demethylase 5A 0.0098 0.032 0.0313
Echinococcus granulosus peregrin 0.0035 0.0024 0.0016
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Schistosoma mansoni hypothetical protein 0.0176 0.0687 0.068
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.021 0.0203
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0057 0.0134
Brugia malayi hypothetical protein 0.0075 0.0214 0.0207
Loa Loa (eye worm) hypothetical protein 0.0161 0.0618 0.0611
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0168 0.016
Onchocerca volvulus 0.0473 0.2078 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0827 0.3738 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0102 0.0095
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0057 0.0239
Brugia malayi Bromodomain containing protein 0.0035 0.0024 0.0016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0206 0.0829 0.0822
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0081 0.0073
Brugia malayi Dihydrofolate reductase 0.2163 1 1
Trichomonas vaginalis chromobox protein, putative 0.0074 0.021 0.1768
Onchocerca volvulus Glucosylceramidase homolog 0.0186 0.0733 0.3503
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0162 0.0621 0.0614
Loa Loa (eye worm) hypothetical protein 0.0242 0.0994 0.0988
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0283 0.119 0.1183
Brugia malayi jmjC domain containing protein 0.0098 0.032 0.0313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0081 0.0073
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0168 0.016
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.0523 0.0516
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0057 0.048
Echinococcus multilocularis dihydrofolate reductase 0.2163 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0041 1
Echinococcus granulosus chromobox protein 1 0.0074 0.021 0.0203
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0072 0.0604
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0152 0.0145
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0168 0.016
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0057 0.0134
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0152 0.0145
Echinococcus multilocularis GPCR, family 2 0.0065 0.0168 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Onchocerca volvulus 0.0033 0.0015 0.0035
Onchocerca volvulus 0.0049 0.0093 0.0411
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Loa Loa (eye worm) runx1 0.0059 0.014 0.0132
Schistosoma mansoni dihydrofolate reductase 0.2163 1 1
Brugia malayi Cytochrome P450 family protein 0.0051 0.0102 0.0095
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Schistosoma mansoni survival motor neuron protein 0.0049 0.0093 0.0085
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0162 0.0621 0.0614
Echinococcus multilocularis chromobox protein 1 0.0074 0.021 0.0203
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0827 0.3738 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0527 0.052
Loa Loa (eye worm) hypothetical protein 0.0206 0.0829 0.0822
Schistosoma mansoni hypothetical protein 0.0075 0.0214 0.0207
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0057 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0041 0.0348
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.0994 0.0988
Loa Loa (eye worm) hypothetical protein 0.0065 0.0168 0.016
Echinococcus multilocularis transcription factor btf3 0.0038 0.0041 0.0034
Brugia malayi hypothetical protein 0.0473 0.2078 0.2072
Entamoeba histolytica transcription factor BTF3, putative 0.0038 0.0041 0.0016
Loa Loa (eye worm) acetyltransferase 0.0142 0.0527 0.052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0214 0.0207
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0065 0.0057
Brugia malayi beta-NAC-like protein 0.0038 0.0041 0.0034
Schistosoma mansoni lozenge 0.0059 0.014 0.0132
Entamoeba histolytica hypothetical protein 0.0075 0.0214 1
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0214 0.0207
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0152 0.0389
Schistosoma mansoni hypothetical protein 0.0176 0.0687 0.068
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.032 0.0313
Entamoeba histolytica hypothetical protein 0.0038 0.0041 0.0016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0081 0.0073
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0206 0.0829 0.0822
Loa Loa (eye worm) jmjC domain-containing protein 0.0098 0.032 0.0313
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0152 0.0301
Schistosoma mansoni hypothetical protein 0.0065 0.0168 0.016
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.032 0.0313
Loa Loa (eye worm) hypothetical protein 0.0473 0.2078 0.2072
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0889 0.4031 0.4027
Brugia malayi hypothetical protein 0.0161 0.0618 0.0611
Plasmodium vivax basic transcription factor 3b, putative 0.0038 0.0041 0.0091
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.0994 0.0988
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0152 0.0145
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0827 0.3738 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0041 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.0733 0.6161
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0283 0.119 0.1183
Loa Loa (eye worm) hypothetical protein 0.0042 0.0057 0.005
Echinococcus granulosus chromobox protein 1 0.0074 0.021 0.0203
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0163 0.0155
Loa Loa (eye worm) hypothetical protein 0.0069 0.0187 0.0179
Schistosoma mansoni jumonji domain containing protein 0.0141 0.0523 0.0516
Chlamydia trachomatis dihydrofolate reductase 0.2163 1 0.5
Echinococcus multilocularis peregrin 0.0035 0.0024 0.0016
Schistosoma mansoni hypothetical protein 0.0065 0.0168 0.016
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0168 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0057 0.048
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0065 0.0057
Trichomonas vaginalis glucosylceramidase, putative 0.0283 0.119 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2163 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0093 0.0085
Echinococcus granulosus GPCR family 2 0.0065 0.0168 0.016
Schistosoma mansoni hypothetical protein 0.0065 0.0168 0.016
Onchocerca volvulus 0.0161 0.0618 0.2947
Schistosoma mansoni hypothetical protein 0.0049 0.0093 0.0085
Loa Loa (eye worm) dihydrofolate reductase 0.2163 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0057 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0081 0.0073
Brugia malayi Heterochromatin protein 1 0.0074 0.021 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0041 0.0348
Loa Loa (eye worm) hypothetical protein 0.0141 0.0523 0.0516
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0081 0.0073
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0827 0.3738 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2163 1 0.5
Schistosoma mansoni chromobox protein 0.0074 0.021 0.0203
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.078 0.6556
Loa Loa (eye worm) hypothetical protein 0.0473 0.2078 0.2072
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0152 0.0145
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0057 0.0483
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0527 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0081 0.0073

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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