Detailed information for compound 1023742

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.331 | Formula: C18H15N3O
  • H donors: 3 H acceptors: 2 LogP: 3.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)CNc1ncc2c(c1)c1ccccc1[nH]2
  • InChi: 1S/C18H15N3O/c22-13-7-5-12(6-8-13)10-19-18-9-15-14-3-1-2-4-16(14)21-17(15)11-20-18/h1-9,11,21-22H,10H2,(H,19,20)
  • InChiKey: KVOQUINLRHIYQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 granulosus ubiquitin specific protease 41 0.0044 0.1854 0.2081
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0617 0.4155
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.1485 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0044 0.1854 0.2081
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.1485 1
Schistosoma mansoni hypothetical protein 0.0118 0.5687 0.6708
Mycobacterium ulcerans thioesterase TesA 0.002 0.0653 0.4398
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0705 0.0694
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0617 0.4155
Schistosoma mansoni tar DNA-binding protein 0.0136 0.6607 0.7819
Schistosoma mansoni hypothetical protein 0.0171 0.8414 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.4729 0.5552
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.4729 0.466
Schistosoma mansoni tar DNA-binding protein 0.0136 0.6607 0.7819
Schistosoma mansoni hypothetical protein 0.0064 0.2894 0.3336
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0653 0.4398
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.078 0.0659
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.1485 1
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0846 0.0725
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.0863 0.581
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.199 0.1884
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0044 0.1854 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0044 0.1854 0.2081
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0617 0.4155
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0202 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.4729 0.466
Loa Loa (eye worm) RNA binding protein 0.0136 0.6607 0.6563
Brugia malayi TAR-binding protein 0.0136 0.6607 0.6563
Echinococcus granulosus geminin 0.0171 0.8414 1
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.1873 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.0941 0.6337
Loa Loa (eye worm) acyl carrier protein 0.0011 0.0183 0.0054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.2894 0.28
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.2894 0.3336
Schistosoma mansoni tar DNA-binding protein 0.0136 0.6607 0.7819
Entamoeba histolytica hypothetical protein 0.0118 0.5687 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.0863 0.581
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0044 0.1854 0.2305
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.5687 0.6708
Schistosoma mansoni tar DNA-binding protein 0.0136 0.6607 0.7819
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.5687 0.6708
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0824 0.5551
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0705 0.0583
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0941 1
Schistosoma mansoni ap endonuclease 0.0021 0.0705 0.0694
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.078 0.5254
Brugia malayi hypothetical protein 0.0118 0.5687 0.563
Mycobacterium ulcerans thioesterase 0.002 0.0653 0.4398
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.4729 0.5552
Echinococcus granulosus tar DNA binding protein 0.0136 0.6607 0.7819
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0705 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0202 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0705 0.4749
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.6607 0.6563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.4729 0.5552
Loa Loa (eye worm) hypothetical protein 0.0064 0.2894 0.28
Onchocerca volvulus 0.0023 0.078 0.3731
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0705 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0509 0.3424
Loa Loa (eye worm) hypothetical protein 0.0014 0.031 0.0182
Toxoplasma gondii exonuclease III APE 0.0021 0.0705 0.6633
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0705 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.4729 0.5552
Loa Loa (eye worm) hypothetical protein 0.0044 0.1854 0.1746
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0941 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0863 0.581
Entamoeba histolytica hypothetical protein 0.0118 0.5687 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.0437 0.2941
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.05 0.3708
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.0437 0.2941
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.1854 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0044 0.1854 0.2081
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0044 0.1854 0.1746
Brugia malayi AMP-binding enzyme family protein 0.0023 0.078 0.0659
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0705 0.0694
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.2894 0.28
Schistosoma mansoni ap endonuclease 0.0021 0.0705 0.0694
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.2894 0.3336
Entamoeba histolytica hypothetical protein 0.0118 0.5687 1
Entamoeba histolytica hypothetical protein 0.0118 0.5687 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.4729 0.5552
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0044 0.1854 0.2081
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1854 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0044 0.1854 0.2081
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.6711 0.6668
Schistosoma mansoni tar DNA-binding protein 0.0136 0.6607 0.7819
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0941 0.6337
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0705 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0863 0.581
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.6607 0.6563
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0421 0.2574
Loa Loa (eye worm) hypothetical protein 0.0202 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0044 0.1854 0.2081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.2894 0.3336
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0941 0.6337
Echinococcus multilocularis GPCR, family 2 0.0064 0.2894 0.3336
Loa Loa (eye worm) TAR-binding protein 0.0136 0.6607 0.6563
Schistosoma mansoni hypothetical protein 0.0171 0.8414 1
Echinococcus multilocularis tar DNA binding protein 0.0136 0.6607 0.7819
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0941 0.6337
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.1485 1
Schistosoma mansoni hypothetical protein 0.0064 0.2894 0.3336
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0044 0.1854 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0008 0.0037 0.0251
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0863 0.581
Brugia malayi RNA binding protein 0.0136 0.6607 0.6563
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.0437 0.2941
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0705 0.0583
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0044 0.1854 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0941 0.6337
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0705 0.4749
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.0863 0.0742
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.032 0.2155
Onchocerca volvulus 0.0043 0.1795 0.9552
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0863 0.581
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0863 0.581
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0941 0.6337
Echinococcus granulosus GPCR family 2 0.0064 0.2894 0.3336
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.1854 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0634 0.4267
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.4729 0.5552
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0114 0.0765
Loa Loa (eye worm) hypothetical protein 0.0041 0.1718 0.1609
Mycobacterium ulcerans polyketide synthase 0.0024 0.0863 0.581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.4729 0.5552
Loa Loa (eye worm) hypothetical protein 0.0138 0.6711 0.6668
Echinococcus multilocularis geminin 0.0171 0.8414 1
Schistosoma mansoni hypothetical protein 0.0064 0.2894 0.3336
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0941 0.6337
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0824 0.5551
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0941 0.6337
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0044 0.1854 0.2081
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0044 0.1854 1
Schistosoma mansoni hypothetical protein 0.0064 0.2894 0.3336
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0863 0.581
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.2894 0.3336
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.1854 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0863 0.581
Schistosoma mansoni hypothetical protein 0.0138 0.6711 0.7944
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0653 0.4398
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.5687 0.6708
Brugia malayi Latrophilin receptor protein 2 0.0064 0.2894 0.28

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.