Detailed information for compound 1118929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.624 | Formula: C28H35N7
  • H donors: 1 H acceptors: 4 LogP: 6.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1Nc1nc(nc2c1n(C)cn2)N1CCC(CC1)Cc1ccncc1)C(C)(C)C
  • InChi: 1S/C28H35N7/c1-19-6-7-22(28(2,3)4)17-23(19)31-26-24-25(30-18-34(24)5)32-27(33-26)35-14-10-21(11-15-35)16-20-8-12-29-13-9-20/h6-9,12-13,17-18,21H,10-11,14-16H2,1-5H3,(H,31,32,33)
  • InChiKey: PDZPGPLBJJAYOQ-UHFFFAOYSA-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
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.1706 0.2616
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0108 0.5297 0.5049
Plasmodium vivax thioredoxin reductase, putative 0.005 0.1427 0.3969
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0072 0.2902 0.5
Schistosoma mansoni hypothetical protein 0.0178 1 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0108 0.5297 0.4514
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0108 0.5297 0.5049
Brugia malayi Melibiase family protein 0.0072 0.2902 0.7757
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.2236 0.1827
Brugia malayi glutathione reductase 0.005 0.1427 0.2993
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.237 0.11
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.6523 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0108 0.5297 0.5049
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.5678 0.8342
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.2236 0.0944
Trypanosoma brucei trypanothione reductase 0.005 0.1427 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.3597 0.6791
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.3597 0.5514
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.237 0.1968
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1608 0.3575
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.3597 0.2531
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.3597 0.3259
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1608 0.3575
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.237 0.1968
Brugia malayi Probable ClpP-like protease 0.0082 0.3597 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.3597 0.6791
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.237 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1608 0.3575
Plasmodium vivax glutathione reductase, putative 0.005 0.1427 0.3969
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.2236 0.5606
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.5678 0.8342
Schistosoma mansoni hypothetical protein 0.0178 1 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0108 0.5297 0.4514
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.1706 0.0325
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0108 0.5297 0.4514
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.1706 0.0325
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.6523 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0108 0.5297 0.5049
Loa Loa (eye worm) hypothetical protein 0.0082 0.3597 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.1706 0.0547
Loa Loa (eye worm) hypothetical protein 0.0072 0.2902 0.7757
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.5678 0.8342
Brugia malayi jmjC domain containing protein 0.0062 0.2236 0.5606
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.2236 0.0944
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.2236 0.1827
Schistosoma mansoni jumonji domain containing protein 0.0062 0.2236 0.1827
Plasmodium falciparum thioredoxin reductase 0.005 0.1427 0.3969
Brugia malayi Thioredoxin reductase 0.005 0.1427 0.2993
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.5678 0.8342
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.2902 0.2528
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.237 0.4475
Echinococcus multilocularis geminin 0.0178 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.6523 1
Toxoplasma gondii melibiase subfamily protein 0.0108 0.5297 1
Brugia malayi jmjC domain containing protein 0.0062 0.2236 0.5606
Plasmodium falciparum glutathione reductase 0.005 0.1427 0.3969
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1608 0.3575
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.237 0.185
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.5678 0.8705
Loa Loa (eye worm) glutathione reductase 0.005 0.1427 0.2993
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.2236 0.0944
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.237 0.11
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.1427 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.2236 0.0944
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.2902 0.2528
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.3597 1
Mycobacterium tuberculosis Probable reductase 0.0114 0.5678 0.8342
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.6523 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.3597 0.2531
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.1706 0.0547
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.5678 0.8342
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.3597 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.1427 0.2993
Toxoplasma gondii thioredoxin reductase 0.005 0.1427 0.2695

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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