Detailed information for compound 1825570

Basic information

Technical information
  • TDR Targets ID: 1825570
  • Name: 2-propylpyridine-4-carbohydrazide
  • MW: 179.219 | Formula: C9H13N3O
  • H donors: 2 H acceptors: 2 LogP: 0.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nccc(c1)C(=O)NN
  • InChi: 1S/C9H13N3O/c1-2-3-8-6-7(4-5-11-8)9(13)12-10/h4-6H,2-3,10H2,1H3,(H,12,13)
  • InChiKey: LZGFMSPLAMQWMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-propyl-4-pyridinecarbohydrazide
  • 2-propylisonicotinohydrazide
  • 2-n-Propylisonicotinic acid hydrazide
  • AIDS-070053
  • AIDS070053
  • 2-Propyl-isonicotinsaeurehydrazid [German]
  • 2-Propylisonicotinic acid hydrazide
  • 4-Pyridinecarboxylic acid, 2-propyl-, hydrazide
  • Isonicotinic acid, 2-propyl-, hydrazide
  • NS2070200

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
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.1689 0.2759
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0069 0.2634 0.5254
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0074 0.2913 0.581
Onchocerca volvulus 0.0128 0.6057 0.9285
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0048 0.1421 0.1915
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0078 0.3176 0.6337
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0069 0.2634 0.2148
Plasmodium falciparum carbonic anhydrase 0.0093 0.399 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0197 1 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0072 0.2782 0.5551
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0197 1 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0059 0.2083 0.4155
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0078 0.3176 0.6337
Toxoplasma gondii type I fatty acid synthase, putative 0.0078 0.3176 0.7439
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0059 0.2083 0.4155
Loa Loa (eye worm) fatty acid synthase 0.0073 0.2856 0.2385
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0042 0.108 0.2155
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0074 0.2913 0.581
Onchocerca volvulus Fatty acid synthase homolog 0.0133 0.6321 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0093 0.399 0.1842
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.2913 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.003 0.0383 0.0765
Mycobacterium leprae Polyketide synthase Pks13 0.011 0.5013 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0074 0.2913 0.581
Echinococcus granulosus carbonic anhydrase II 0.0197 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.2913 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0074 0.2913 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0059 0.2083 0.4155
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0074 0.2913 0.581
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0093 0.399 0.1842
Loa Loa (eye worm) hypothetical protein 0.0093 0.399 0.3594
Trypanosoma brucei carbonic anhydrase-like protein 0.0197 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0197 1 1
Mycobacterium ulcerans polyketide synthase Pks13 0.011 0.5013 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.58 0.5523
Mycobacterium ulcerans thioesterase 0.0062 0.2205 0.4398
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0078 0.3176 0.6337
Loa Loa (eye worm) hypothetical protein 0.0041 0.1045 0.0455
Loa Loa (eye worm) carbonic anhydrase 3 0.0197 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0049 0.1474 0.2941
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0025 0.0126 0.0251
Loa Loa (eye worm) hypothetical protein 0.0093 0.399 0.3594
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0078 0.3176 0.6337
Mycobacterium ulcerans thioesterase TesA 0.0062 0.2205 0.4398
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0093 0.399 0.3594
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0093 0.399 0.1842
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0078 0.3176 0.6337
Mycobacterium tuberculosis Probable thioesterase TesA 0.0062 0.2205 0.4398
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0197 1 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.011 0.5013 1
Toxoplasma gondii hypothetical protein 0.0093 0.399 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0049 0.1474 0.2941
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0053 0.1717 0.3424
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0093 0.399 0.1842
Echinococcus multilocularis carbonic anhydrase II 0.0197 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.006 0.2139 0.4267
Mycobacterium ulcerans polyketide synthase 0.0074 0.2913 0.581
Mycobacterium leprae Probable polyketide synthase Pks1 0.0078 0.3176 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0074 0.2913 0.581
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0062 0.2205 0.4398
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0078 0.3176 0.6337
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0197 1 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0078 0.3176 0.6337
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0093 0.399 0.1842
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.014 0.6715 0.5541
Leishmania major carbonic anhydrase-like protein 0.0197 1 0.5
Mycobacterium ulcerans polyketide synthase 0.0078 0.3176 0.6337
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0197 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.399 0.3594
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0049 0.1474 0.2941
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0072 0.2782 0.5551
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0074 0.2913 0.0379
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.011 0.5013 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.2913 0.581

Activities

Activity type Activity value Assay description Source Reference
log(1/MIC) (functional) = -1.742 Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by two-fold serial dilution method ChEMBL. 817022
log(1/MIC) (functional) = -0.99533 Antitubercular activity against Mycobacterium tuberculosis H37Rv ChEMBL. 24246731
MIC (functional) = 9.89 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv ChEMBL. 24246731
MIC (functional) = 55.2 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by BACTEC 960 assay ChEMBL. 24836065
MIC (functional) = 55.2 umol/L Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by two-fold serial dilution method ChEMBL. 817022

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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