Detailed information for compound 1203485

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 242.273 | Formula: C14H14N2O2
  • H donors: 2 H acceptors: 3 LogP: 2.7 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1n[nH]c2c1CCC(C2)c1ccccc1
  • InChi: 1S/C14H14N2O2/c17-14(18)13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)(H,17,18)
  • InChiKey: VFTITOZEJBYJRC-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 ran 0.0022 0.0218 0.0578
Trichomonas vaginalis ran, putative 0.0022 0.0218 0.0601
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0218 0.4396
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Schistosoma mansoni hypothetical protein 0.0036 0.0387 0.1028
Entamoeba histolytica Ran family GTPase 0.0022 0.0218 0.1889
Brugia malayi tumor suppressor. 0.0337 0.4034 1
Leishmania major hypothetical protein, conserved 0.0006 0.0023 0.0195
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Echinococcus granulosus snurportin 1 0.0315 0.3768 1
Echinococcus multilocularis snurportin 1 0.0315 0.3768 0.3768
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0218 0.1889
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0262 0.0695
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0262 0.5287
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0139 0.1638 1
Plasmodium falciparum transportin 0.0006 0.0023 0.05
Leishmania major importin beta-1 subunit, putative 0.0024 0.0245 0.2121
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0155 0.0411
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0587 0.1456
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0411
Trichomonas vaginalis chaperonin, putative 0.0025 0.0262 0.0722
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Loa Loa (eye worm) hypothetical protein 0.0052 0.0587 0.1456
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0218 0.054
Echinococcus granulosus geminin 0.0173 0.2054 0.5451
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0262 0.0695
Echinococcus granulosus ATPase family AAA domain containing protein 2B 0.0004 0.00000034437 0.00000091391
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0411
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0262 0.0695
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0262 0.2272
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0496 0.1366
Echinococcus multilocularis protein quaking 0.0029 0.03 0.03
Giardia lamblia Kinase, PLK 0.0099 0.1153 1
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Plasmodium vivax transportin, putative 0.0006 0.0023 0.0454
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.1153 0.2858
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0411
Schistosoma mansoni hypothetical protein 0.0173 0.2054 0.5451
Brugia malayi ATPase, AAA family protein 0.0004 0.00000034437 0.00000085372
Brugia malayi Importin beta-1 subunit 0.003 0.0312 0.0774
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0006 0.0026 0.0229
Echinococcus multilocularis importin 5 0.0006 0.0023 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2494 0.6876
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0245 0.0674
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0451 0.3907
Echinococcus multilocularis geminin 0.0173 0.2054 0.2054
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.1153 1
Schistosoma mansoni hypothetical protein 0.0173 0.2054 0.5451
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0155 0.0384
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0451 0.3907
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0155 0.0384
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0548 0.1511
Entamoeba histolytica HEAT repeat domain containing protein 0.0006 0.0023 0.0195
Echinococcus multilocularis ATPase family AAA domain containing protein 2B 0.0004 0.00000034437 0.00000034437
Echinococcus multilocularis translational activator gcn1 0.0006 0.0023 0.0023
Brugia malayi Temporarily assigned gene name protein 44 0.0029 0.03 0.0744
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0496 1
Brugia malayi RNA, U transporter 1 0.0084 0.0971 0.2406
Echinococcus multilocularis importin subunit beta 1 0.003 0.0312 0.0312
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0303 0.3628 0.8993
Onchocerca volvulus Glucosylceramidase homolog 0.0199 0.2365 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1153 1
Echinococcus granulosus protein quaking 0.0029 0.03 0.0796
Echinococcus multilocularis transportin 1 0.0006 0.0023 0.0023
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0155 0.0384
Loa Loa (eye worm) acetyltransferase 0.0152 0.1793 0.4446
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0262 0.2272
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0007 0.0018
Plasmodium vivax importin-beta 2, putative 0.003 0.0312 0.6299
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0155 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Schistosoma mansoni ran 0.0022 0.0218 0.0578
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0496 1
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0006 0.0023 0.0195
Loa Loa (eye worm) hypothetical protein 0.0029 0.03 0.0744
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0155 0.0155
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.1153 0.306
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0155 0.0411
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0262 0.5287
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0218 0.0218
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.1153 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0139 0.1638 1
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0387 0.096
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0312 0.2707
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0496 0.1315
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0245 0.0674
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0387 0.096
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0262 0.2272
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.1153 0.1153
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0451 1
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0218 0.054
Loa Loa (eye worm) tumor suppressor 0.0337 0.4034 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0312 0.0828
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.1153 1
Plasmodium falciparum importin beta, putative 0.003 0.0312 0.6929
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0303 0.3628 0.8993
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0312 0.2707
Echinococcus granulosus hypothetical protein 0.0029 0.03 0.0796
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0218 0.4396
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.1153 0.2858
Leishmania major GTP-binding protein, putative 0.0022 0.0218 0.1889
Trypanosoma brucei AAA ATPase, putative 0.0004 0.00000034437 0.0000029867
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Echinococcus granulosus GPCR family 2 0.0017 0.0155 0.0411
Schistosoma mansoni importin beta-1 0.003 0.0312 0.0828
Loa Loa (eye worm) hypothetical protein 0.0004 0.00000034437 0.00000085372
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.2365 0.6519
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0262 0.0695
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0245 0.2121
Echinococcus granulosus transportin 1 0.0006 0.0023 0.006
Trypanosoma brucei polo-like protein kinase 0.0099 0.1153 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0067 0.0763 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0155 0.0155
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2494 0.6876
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0262 0.0649
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0218 0.1889
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0218 0.1889
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0262 0.5815
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0218 0.1889
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0245 0.0674
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0587 0.1456
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0007 0.0018
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0312 0.6299
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0023 0.0056
Brugia malayi kap beta 3 protein 0.0006 0.0023 0.0056
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0262 0.0649
Echinococcus granulosus importin 5 0.0006 0.0023 0.006
Schistosoma mansoni importin-beta 2 0.0006 0.0023 0.006
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0262 0.0649
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.1793 0.4759
Entamoeba histolytica hypothetical protein 0.0024 0.0245 0.2121
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.3768 0.9341
Loa Loa (eye worm) hypothetical protein 0.003 0.0312 0.0774
Brugia malayi hypothetical protein 0.0029 0.03 0.0744
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.1153 0.4876
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.1153 0.306
Schistosoma mansoni hypothetical protein 0.0315 0.3768 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.1742 0.4622
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0155 0.0155
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0587 0.1456
Schistosoma mansoni hypothetical protein 0.0029 0.03 0.0796
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0262 0.2272
Schistosoma mansoni hypothetical protein 0.0029 0.03 0.0796
Onchocerca volvulus 0.0011 0.0085 0.0358
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0218 0.0578
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0023 0.0454
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0262 0.2272
Schistosoma mansoni kinase 0.005 0.0564 0.1496
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0496 0.1366
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.1153 0.3178
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0411
Trypanosoma brucei beta lactamase 0.0067 0.0763 0.6616
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.3628 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.1793 0.1793
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0023 0.0056
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0218 0.4835
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0262 0.0722
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0262 0.0262
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.1793 0.4446
Echinococcus granulosus translational activator gcn1 0.0006 0.0023 0.006
Trichomonas vaginalis hypothetical protein 0.0006 0.0023 0.0062
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0023 0.0454
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0548 0.1511

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 63 % Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells at 25 uM in absence of 5% human serum ChEMBL. 19592242

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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