Detailed information for compound 1080900

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.49 | Formula: C24H27N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)CNCC1CCN(CC1)Cc1ccc2c(c1)cccc2
  • InChi: 1S/C24H27N3O2/c28-27(29)24-7-3-4-20(15-24)17-25-16-19-10-12-26(13-11-19)18-21-8-9-22-5-1-2-6-23(22)14-21/h1-9,14-15,19,25H,10-13,16-18H2
  • InChiKey: OEERRRATALFBSZ-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
Brugia malayi cytochrome P450 0.0015 0.0199 0.0205
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.1033 0.1508
Loa Loa (eye worm) hypothetical protein 0.0009 0.0081 0.0021
Brugia malayi Cytochrome P450 family protein 0.0025 0.0391 0.0504
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.3121 0.4767
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.25 0.3797
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0015 0.0199 0.5
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0414 0.0349
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0015 0.0199 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0106 0.4422
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0106 0.0039
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0015 0.0199 0.5
Echinococcus multilocularis 0.0015 0.0199 0.0133
Schistosoma mansoni hypothetical protein 0.0181 0.3594 1
Echinococcus multilocularis neuropeptide s receptor 0.0495 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0015 0.0199 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0015 0.0199 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.3121 0.4767
Echinococcus multilocularis GPCR, family 2 0.005 0.0912 0.085
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0391 1
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.2099 0.3171
Loa Loa (eye worm) RecQ helicase 0.0026 0.0414 0.0542
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0322 0.6474 1
Schistosoma mansoni hypothetical protein 0.0015 0.0199 0.0373
Schistosoma mansoni hypothetical protein 0.005 0.0912 0.2395
Schistosoma mansoni hypothetical protein 0.005 0.0912 0.2395
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0304 0.0671
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0015 0.0199 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0199 0.0205
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0015 0.0199 0.5
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0015 0.0199 0.1319
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0912 0.085
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0391 0.0504
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0015 0.0199 0.5
Entamoeba histolytica recQ family helicase, putative 0.0014 0.017 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0391 0.0504
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0106 0.0039
Brugia malayi MH2 domain containing protein 0.0128 0.25 0.3797
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0106 0.0039
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.25 0.3797
Leishmania major cytochrome p450-like protein 0.0015 0.0199 0.1319
Echinococcus granulosus GPCR family 2 0.005 0.0912 0.085
Schistosoma mansoni cytochrome P450 0.0015 0.0199 0.0373
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0912 0.1318
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0015 0.0199 0.5
Brugia malayi Latrophilin receptor protein 2 0.005 0.0912 0.1318
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0015 0.0199 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0214 0.4265 0.4226
Brugia malayi Cytochrome P450 family protein 0.0056 0.1033 0.1508
Schistosoma mansoni DNA helicase recq5 0.0011 0.0106 0.011
Echinococcus granulosus geminin 0.0181 0.3594 0.3551
Schistosoma mansoni hypothetical protein 0.005 0.0912 0.2395
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0199 0.0133
Echinococcus granulosus neuropeptide receptor A26 0.0495 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.2532 0.3846
Mycobacterium leprae putative cytochrome p450 0.0015 0.0199 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0015 0.0199 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0214 0.4265 0.4226
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0391 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0199 0.1319
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0244 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0351 1
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0414 0.0542
Leishmania major cytochrome p450-like protein 0.0025 0.0391 1
Mycobacterium leprae Conserved hypothetical protein 0.0015 0.0199 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0106 0.0061
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0414 1
Echinococcus multilocularis neuropeptide receptor A26 0.0495 1 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0015 0.0199 0.8286
Schistosoma mansoni DNA helicase recq1 0.0011 0.0106 0.011
Loa Loa (eye worm) hypothetical protein 0.0108 0.2099 0.3171
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.024 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0015 0.0199 0.5
Echinococcus granulosus bloom syndrome protein 0.0026 0.0414 0.0349
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0106 0.0061
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0414 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0912 0.1318
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0106 0.0039
Schistosoma mansoni hypothetical protein 0.0108 0.2099 0.576
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0199 0.1319
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0015 0.0199 0.5
Leishmania major cytochrome p450-like protein 0.0015 0.0199 0.1319
Schistosoma mansoni hypothetical protein 0.0181 0.3594 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0106 0.4422
Loa Loa (eye worm) hypothetical protein 0.005 0.0912 0.1318
Brugia malayi Cytochrome P450 family protein 0.0025 0.0391 0.0504
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0015 0.0199 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0015 0.0199 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0015 0.0199 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0015 0.0199 0.5
Loa Loa (eye worm) cytochrome P450 0.0015 0.0199 0.0205
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0106 0.0061
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0015 0.0199 0.1319
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0015 0.0199 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0015 0.0199 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0391 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0106 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0106 0.0061
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0015 0.0199 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0912 0.2395
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0391 0.0504
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.6474 1
Echinococcus multilocularis geminin 0.0181 0.3594 0.3551
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0015 0.0199 0.1319
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0912 0.085

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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