Detailed information for compound 1014094

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 537.667 | Formula: C27H44FN5O5
  • H donors: 4 H acceptors: 5 LogP: 2.57 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1(F)CCC1)C2(C)C
  • InChi: 1S/C27H44FN5O5/c1-24(2,3)19(31-23(38)32-25(4,5)6)22(37)33-13-14-16(26(14,7)8)17(33)21(36)30-15(18(34)20(29)35)12-27(28)10-9-11-27/h14-17,19H,9-13H2,1-8H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t14-,15?,16-,17-,19+/m0/s1
  • InChiKey: KGIHZTKXJGQMHO-TZPCIBBBSA-N  

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
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0066 0.354 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3065 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2204 0.4833
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3065 0.5
Plasmodium falciparum glutathione reductase 0.0046 0.1937 0.5
Plasmodium vivax glutathione reductase, putative 0.0046 0.1937 0.5
Echinococcus granulosus caax prenyl protease 1 0.0066 0.354 1
Entamoeba histolytica CAAX prenyl protease, putative 0.0066 0.354 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7593 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7593 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3065 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7593 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.3065 0.1994
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.6655 0.8342
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0066 0.354 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0066 0.354 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.6655 0.8342
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.3065 0.7037
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1937 0.3801
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2204 0.4833
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2204 0.4833
Plasmodium falciparum thioredoxin reductase 0.0046 0.1937 0.5
Loa Loa (eye worm) peptidase family M48 containing protein 0.0066 0.354 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.1937 0.3801
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.6655 0.8342
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1937 0.5
Brugia malayi glutathione reductase 0.0046 0.1937 0.3801
Loa Loa (eye worm) hypothetical protein 0.0049 0.2204 0.4833
Echinococcus multilocularis caax prenyl protease 1 0.0066 0.354 1
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0066 0.354 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7593 1
Brugia malayi Thioredoxin reductase 0.0046 0.1937 0.3801
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0066 0.354 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0066 0.354 1
Brugia malayi Peptidase family M48 containing protein 0.0066 0.354 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.3065 0.7037
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3065 0.2334
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3065 0.2334
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.6655 0.8342
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.3065 0.7037
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0066 0.354 0.2859
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.6655 0.8342
Toxoplasma gondii CAAX metallo endopeptidase 0.0066 0.354 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.3065 0.7037
Mycobacterium tuberculosis Probable reductase 0.0104 0.6655 0.8342

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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