Detailed information for compound 1637904

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.424 | Formula: C18H26N4O3
  • H donors: 0 H acceptors: 3 LogP: 1.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COCC1CN(Cc2c1n(C)cn2)C(=O)c1c(C)noc1C)C
  • InChi: 1S/C18H26N4O3/c1-11(2)8-24-9-14-6-22(7-15-17(14)21(5)10-19-15)18(23)16-12(3)20-25-13(16)4/h10-11,14H,6-9H2,1-5H3
  • InChiKey: KXPAOMQFNMKVHU-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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2454 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.0453 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0023 0.0001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.0453 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.015 0.015
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0022 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Leishmania major cathepsin L-like protease 0.0017 0.0023 0.0001
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0022 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.015 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.0403 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0022 0.5
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0023 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2454 1 1
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.2211 0.9007 0.9005
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2454 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2454 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2454 1 1
Plasmodium falciparum glutathione reductase 0.0048 0.015 1
Leishmania major cathepsin L-like protease 0.0017 0.0023 0.0001
Loa Loa (eye worm) glutathione reductase 0.0048 0.015 0.015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Onchocerca volvulus 0.0017 0.0023 0.0023
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2454 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.0403 0.8837
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0219 0.0198
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Leishmania major cathepsin L-like protease 0.0065 0.0219 0.0198
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.2454 1 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0023 0.0023
Onchocerca volvulus 0.0017 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0023
Leishmania major cathepsin L-like protease 0.0065 0.0219 0.0198
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0023 0.0001
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0023 0.0023
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0023 0.0116
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0022 0.5
Onchocerca volvulus 0.0017 0.0023 0.0023
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0023 0.0116
Leishmania major cathepsin L-like protease 0.0017 0.0023 0.0001
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0219 0.0198
Loa Loa (eye worm) cysteine protease 0.0017 0.0023 0.0023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Leishmania major cathepsin L-like protease 0.0017 0.0023 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0023 0.0116
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0022 0.9353
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.015 0.0129
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0023 0.0023
Trypanosoma brucei trypanothione reductase 0.0048 0.015 0.0129
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.2454 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.015 0.2985
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2454 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.0403 0.8837
Echinococcus granulosus cathepsin l1 0.0017 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.0453 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0162 0.0141
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.0403 0.8837
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0196 0.0175
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0003 0.0003
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.0453 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Loa Loa (eye worm) fibroinase 0.0017 0.0023 0.0023
Loa Loa (eye worm) ctsf protein 0.0017 0.0023 0.0023
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0023 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0023 0.0023
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0219 0.0198
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0023 1
Onchocerca volvulus 0.0017 0.0023 0.0023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Thioredoxin reductase 0.0048 0.015 0.015
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.015 0.015
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0243 0.0946 0.0946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Echinococcus multilocularis cysteine protease 0.0017 0.0023 0.0001
Echinococcus granulosus lysosomal protective protein 0.2454 1 1
Plasmodium vivax glutathione reductase, putative 0.0048 0.015 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0022 0.0022
Toxoplasma gondii thioredoxin reductase 0.0048 0.015 1
Plasmodium vivax vivapain-2 0.0017 0.0023 0.0116
Echinococcus granulosus family S10 non peptidase ue S10 family 0.2211 0.9007 0.9007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.015 0.0129
Treponema pallidum NADH oxidase 0.0017 0.0022 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0022 0.9353
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0022 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0023 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0023 1
Leishmania major trypanothione reductase 0.0048 0.015 0.0129
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0023 0.0023
Onchocerca volvulus 0.0017 0.0023 0.0023
Onchocerca volvulus 0.0017 0.0023 0.0023
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0022 0.5
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.2454 1 1
Plasmodium falciparum thioredoxin reductase 0.0048 0.015 1
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0219 0.0198
Toxoplasma gondii cathepsin CPL 0.0017 0.0023 0.0116
Echinococcus multilocularis lysosomal protective protein 0.2454 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0023 0.0001
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.0403 0.8837
Echinococcus multilocularis cysteine protease 0.0017 0.0023 0.0001
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0023 0.0023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.2454 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0219 0.0198
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0022 0.5
Plasmodium vivax vivapain-2 0.0017 0.0023 0.0116
Onchocerca volvulus 0.0017 0.0023 0.0023
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0003 0.0003
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0023 0.0001
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0023 0.0023
Leishmania major cathepsin L-like protease 0.0065 0.0219 0.0198
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0023 0.0023
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0023 0.0023
Brugia malayi glutathione reductase 0.0048 0.015 0.015
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0023 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Mycobacterium tuberculosis Probable reductase 0.011 0.0403 0.8837
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.2454 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0023
Leishmania major cathepsin L-like protease 0.0017 0.0023 0.0001

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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