Detailed information for compound 1580565

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.436 | Formula: C22H23N3O3
  • H donors: 2 H acceptors: 2 LogP: 4.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(nc1)Oc1cc(C)cc(c1)C)\NCc1cccc(c1)OC
  • InChi: 1S/C22H23N3O3/c1-15-9-16(2)11-20(10-15)28-21-8-7-18(14-23-21)22(25-26)24-13-17-5-4-6-19(12-17)27-3/h4-12,14,26H,13H2,1-3H3,(H,24,25)
  • InChiKey: AZIRWRZPOXCGLS-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 chromobox protein 1 0.007 0.0703 0.0703
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0011 0.0011
Brugia malayi Carboxylesterase family protein 0.0144 0.1586 0.1586
Brugia malayi RNA, U transporter 1 0.0082 0.0849 0.0849
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0227 0.0227
Trichomonas vaginalis ran, putative 0.0021 0.0128 0.044
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0011 0.0011
Onchocerca volvulus 0.0144 0.1586 0.5944
Loa Loa (eye worm) hypothetical protein 0.0854 1 1
Echinococcus granulosus chromobox protein 2 0.0011 0.0011 0.0011
Brugia malayi Heterochromatin protein 1 0.007 0.0703 0.0703
Brugia malayi CHD4 protein 0.0011 0.0011 0.0011
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0144 0.1586 0.1586
Schistosoma mansoni hypothetical protein 0.017 0.1888 0.1888
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0153 0.0537
Onchocerca volvulus 0.0144 0.1586 0.5944
Trichomonas vaginalis chromobox protein, putative 0.007 0.0703 0.2611
Loa Loa (eye worm) acetylcholinesterase 1 0.0854 1 1
Schistosoma mansoni hypothetical protein 0.0011 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Echinococcus multilocularis acetylcholinesterase 0.0854 1 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0703 0.0703
Trichomonas vaginalis chromobox protein, putative 0.007 0.0703 0.2611
Brugia malayi hypothetical protein 0.0011 0.0011 0.0011
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.3531 0.3531
Schistosoma mansoni chromobox protein 0.0011 0.0011 0.0011
Brugia malayi Importin beta-1 subunit 0.0029 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0011 0.0011
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0144 0.1586 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0227 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0144 0.1586 0.1586
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0227 0.0227
Echinococcus multilocularis geminin 0.017 0.1888 0.1888
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0305 0.0305
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0227 0.0227
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0153 0.0537
Schistosoma mansoni acetylcholinesterase 0.0144 0.1586 0.1586
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0344 0.0344
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0011 0.0011
Echinococcus multilocularis chromobox protein 1 0.007 0.0703 0.0703
Onchocerca volvulus 0.0144 0.1586 0.5944
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0153 0.0537
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0339 0.1239
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0128 0.5408
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0277 0.1001
Echinococcus multilocularis neuroligin 0.0144 0.1586 0.1586
Loa Loa (eye worm) helicase 0.0011 0.0011 0.0011
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Entamoeba histolytica Ran family GTPase 0.0021 0.0128 0.8197
Echinococcus granulosus importin subunit beta 1 0.0029 0.0218 0.0218
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0277 0.1001
Echinococcus granulosus Chromo domain 0.0011 0.0011 0.0011
Plasmodium falciparum importin beta, putative 0.0029 0.0218 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0144 0.1586 0.5
Brugia malayi Protein cec-1. 0.0011 0.0011 0.0011
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0339 0.1239
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0011 0.0011
Echinococcus granulosus acetylcholinesterase 0.0854 1 1
Brugia malayi Carboxylesterase family protein 0.0144 0.1586 0.1586
Plasmodium vivax SET domain protein, putative 0.003 0.0227 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0144 0.1586 0.5944
Loa Loa (eye worm) carboxylesterase 0.0144 0.1586 0.1586
Echinococcus multilocularis BC026374 protein (S09 family) 0.0144 0.1586 0.1586
Brugia malayi Carboxylesterase family protein 0.0854 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0305 0.0305
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0128 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0144 0.1586 0.1586
Entamoeba histolytica hypothetical protein 0.0023 0.0153 1
Echinococcus multilocularis chromobox protein 2 0.0011 0.0011 0.0011
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0703 0.0703
Echinococcus granulosus para nitrobenzyl esterase 0.0144 0.1586 0.1586
Echinococcus granulosus snurportin 1 0.0308 0.3531 0.3531
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0218 0.9601
Trichomonas vaginalis spcc417.12 protein, putative 0.0144 0.1586 0.5944
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0011 0.0011
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0344 0.0344
Brugia malayi SET domain containing protein 0.0013 0.0024 0.0024
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0011 0.0011
Schistosoma mansoni gliotactin 0.0144 0.1586 0.1586
Onchocerca volvulus 0.0041 0.0362 0.1325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0227 0.0227
Brugia malayi Pre-SET motif family protein 0.0206 0.2323 0.2323
Schistosoma mansoni chromobox protein 0.007 0.0703 0.0703
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2661 1
Loa Loa (eye worm) carboxylesterase 0.0854 1 1
Schistosoma mansoni chromobox protein 0.007 0.0703 0.0703
Loa Loa (eye worm) carboxylesterase 0.0144 0.1586 0.1586
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Echinococcus granulosus neuroligin 0.0144 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0031 0.0248 0.0248
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0218 1
Echinococcus granulosus chromobox protein 1 0.007 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.0029 0.0218 0.0218
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0362 0.0362
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0375 0.1372
Plasmodium vivax importin-beta 2, putative 0.0029 0.0218 0.9601
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0375 0.1372
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0144 0.1586 0.5
Onchocerca volvulus 0.0235 0.2661 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Onchocerca volvulus 0.0011 0.0011 0.000000055484
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0128 0.5408
Echinococcus granulosus BC026374 protein S09 family 0.0144 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0031 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Onchocerca volvulus 0.0144 0.1586 0.5944
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0144 0.1586 0.1586
Schistosoma mansoni ran 0.0021 0.0128 0.0128
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0375 0.1372
Echinococcus multilocularis Chromo domain 0.0011 0.0011 0.0011
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Leishmania major importin beta-1 subunit, putative 0.0023 0.0153 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0218 1
Echinococcus multilocularis snurportin 1 0.0308 0.3531 0.3531
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0339 0.1239
Onchocerca volvulus 0.0144 0.1586 0.5944
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0218 0.0218
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0854 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2323 0.2323
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0214 0.0214
Schistosoma mansoni BC026374 protein (S09 family) 0.0144 0.1586 0.1586
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0011 0.0011
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0128 0.5633
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Brugia malayi Carboxylesterase family protein 0.0144 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0039 0.0339 0.0339
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0128 0.0128
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0854 1 1
Schistosoma mansoni hypothetical protein 0.0308 0.3531 0.3531
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0305 0.0305
Mycobacterium tuberculosis Carboxylesterase LipT 0.0144 0.1586 0.5
Onchocerca volvulus 0.0031 0.0239 0.0861
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0204 0.0728
Echinococcus granulosus carboxylesterase 5A 0.0854 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0144 0.1586 0.1586
Schistosoma mansoni ran 0.0021 0.0128 0.0128
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0128 0.0128
Echinococcus multilocularis carboxylesterase 5A 0.0854 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0204 0.0728
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Brugia malayi Pre-SET motif family protein 0.003 0.0227 0.0227
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0011 0.0011
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0227 0.0227
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0128 0.0128
Echinococcus granulosus geminin 0.017 0.1888 0.1888
Schistosoma mansoni hypothetical protein 0.017 0.1888 0.1888
Echinococcus granulosus Chromobox protein 3 0.0011 0.0011 0.0011
Brugia malayi chromobox protein homolog 3 0.0039 0.0339 0.0339
Brugia malayi hypothetical protein 0.0144 0.1586 0.1586
Echinococcus multilocularis acetylcholinesterase 0.0854 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.003 0.0227 0.0227
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0144 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0144 0.1586 0.1586
Echinococcus granulosus acetylcholinesterase 0.0854 1 1
Schistosoma mansoni importin beta-1 0.0029 0.0218 0.0218
Echinococcus multilocularis para nitrobenzyl esterase 0.0144 0.1586 0.1586
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0011 0.0011
Brugia malayi Carboxylesterase family protein 0.0144 0.1586 0.1586
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0011 0.0011
Schistosoma mansoni chromobox protein 0.0011 0.0011 0.0011

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 2 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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.