Detailed information for compound 2175896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.161 | Formula: C17H24ClN3O
  • H donors: 0 H acceptors: 1 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: CN(CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(c1)Cl)C
  • InChi: InChI=1S/C17H24ClN3O/c1-19(2)10-11-20-8-6-16-15(20)7-9-21(16)17(22)13-4-3-5-14(18)12-13/h3-5,12,15-16H,6-11H2,1-2H3/t15-,16+/m0/s1
  • InChiKey: HQZSSAONFCUARV-JKSUJKDBSA-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 CREB-binding protein 2 0.0281 0.3268 1
Brugia malayi Choline O-acetyltransferase 0.02 0.2212 0.653
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0141 0.1448 0.8326
Onchocerca volvulus 0.0048 0.0225 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0141 0.1448 0.8326
Onchocerca volvulus 0.0048 0.0225 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0073 0.056 0.3307
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.016 0.1693 0.7427
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.016 0.1693 1
Brugia malayi Choline O-acetyltransferase 0.02 0.2212 0.653
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0141 0.1448 0.8326
Trypanosoma cruzi N-myristoyl transferase, putative 0.016 0.1693 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0048 0.0225 0.0152
Brugia malayi acetyltransferase, GNAT family protein 0.0187 0.2046 0.5983
Mycobacterium ulcerans naphthoate synthase 0.0796 1 0.5
Trichomonas vaginalis N-myristoyl transferase, putative 0.016 0.1693 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0073 0.056 0.1189
Schistosoma mansoni N-myristoyltransferase 0.016 0.1693 0.4824
Loa Loa (eye worm) N-myristoyltransferase 2 0.016 0.1693 0.7387
Loa Loa (eye worm) CBP-B 0.0196 0.2164 0.9756
Leishmania major N-myristoyl transferase, putative 0.016 0.1693 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0281 0.3268 1
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.016 0.1693 1
Onchocerca volvulus 0.0048 0.0225 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.1299 0.5403
Echinococcus granulosus choline O acetyltransferase 0.02 0.2212 0.6565
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.1648 0.4727
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.016 0.1693 1
Trypanosoma brucei N-myristoyltransferase 0.016 0.1693 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0073 0.056 0.5
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.0796 1 0.5
Trypanosoma brucei N-myristoyl transferase, putative 0.016 0.1693 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0141 0.1448 0.4076
Onchocerca volvulus 0.0048 0.0225 0.5
Giardia lamblia CDC72 0.016 0.1693 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0073 0.056 0.3307
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0141 0.1448 0.6209
Schistosoma mansoni choline o-acyltransferase 0.02 0.2212 0.653
Trichomonas vaginalis N-myristoyl transferase, putative 0.0105 0.0976 0.5764
Trypanosoma cruzi N-myristoyl transferase, putative 0.016 0.1693 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.1448 0.6151
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0141 0.1448 0.4017
Echinococcus granulosus CREB binding protein 0.0175 0.1883 0.5493
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.016 0.1693 0.4876
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0048 0.0225 0.01
Loa Loa (eye worm) acetyltransferase 0.0187 0.2046 0.9162
Brugia malayi N-myristoyltransferase 2 0.016 0.1693 0.4824
Echinococcus multilocularis CREB binding protein 0.0194 0.2133 0.9604
Loa Loa (eye worm) choline O-acetyltransferase 0.02 0.2212 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0187 0.2046 0.5983
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0187 0.2046 0.9175
Brugia malayi TAZ zinc finger family protein 0.0281 0.3268 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0073 0.056 0.5
Echinococcus granulosus CREB binding protein 0.0281 0.3268 1
Echinococcus multilocularis choline O acetyltransferase 0.02 0.2212 1
Loa Loa (eye worm) hypothetical protein 0.02 0.2212 1

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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