Detailed information for compound 1038077

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 277.706 | Formula: C13H12ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc2n(c1O)ccnc2.Cl
  • InChi: 1S/C13H11N3O2.ClH/c1-18-10-4-2-9(3-5-10)12-13(17)16-7-6-14-8-11(16)15-12;/h2-8,17H,1H3;1H
  • InChiKey: ZDPONJZYJRZEMZ-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
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.037 0.3596
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0055 0.0534
Mycobacterium tuberculosis Probable reductase 0.0119 0.037 0.3596
Giardia lamblia Kinesin-5 0.028 0.1133 0.5
Mycobacterium ulcerans beta-lactamase 0.004 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0262 0.231
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Plasmodium falciparum kinesin-5 0.028 0.1133 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.037 0.3596
Echinococcus multilocularis tar DNA binding protein 0.0136 0.0449 0.0449
Mycobacterium ulcerans lipase LipD 0.004 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0262 0.0302
Schistosoma mansoni P2X receptor subunit 0.0043 0.001 0.0012
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0055 0.0485
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0055 0.0485
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0132 0.0433 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Schistosoma mansoni P2X receptor subunit 0.0043 0.001 0.0012
Toxoplasma gondii kinesin motor domain-containing protein 0.028 0.1133 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0061 0.0538
Schistosoma mansoni hypothetical protein 0.1879 0.8676 1
Brugia malayi Kinesin motor domain containing protein 0.028 0.1133 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0055 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0449 0.0517
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.0433 0.4204
Echinococcus granulosus GA binding protein alpha chain 0.008 0.0186 0.0186
Schistosoma mansoni kinesin eg-5 0.028 0.1133 0.1306
Loa Loa (eye worm) RNA binding protein 0.0136 0.0449 0.3962
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Schistosoma mansoni gabp alpha 0.008 0.0186 0.0214
Loa Loa (eye worm) TAR-binding protein 0.0136 0.0449 0.3962
Brugia malayi Ets-domain containing protein 0.008 0.0186 0.1639
Echinococcus granulosus tar DNA binding protein 0.0136 0.0449 0.0449
Entamoeba histolytica kinesin, putative 0.028 0.1133 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0068 0.0131 0.1157
Brugia malayi Ets-domain containing protein 0.008 0.0186 0.1639
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.037 0.3596
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Schistosoma mansoni P2X receptor subunit 0.0043 0.001 0.0012
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.0186 0.1639
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0043 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0449 0.0517
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0262 0.231
Echinococcus multilocularis p2X purinoceptor 4 0.0043 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0449 0.0517
Mycobacterium ulcerans hypothetical protein 0.004 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0132 0.0433 0.4204
Plasmodium vivax kinesin-5 0.028 0.1133 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.1029 1
Loa Loa (eye worm) glutathione reductase 0.0052 0.0055 0.0485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0262 0.0302
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.0449 0.3962
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0262 0.0302
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0449 0.0517
Leishmania major trypanothione reductase 0.0052 0.0055 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0262 0.0262
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.0186 0.0186
Trichomonas vaginalis esterase, putative 0.004 0 0.5
Toxoplasma gondii thioredoxin reductase 0.0052 0.0055 0.0485
Brugia malayi RNA binding protein 0.0136 0.0449 0.3962
Echinococcus granulosus p2X purinoceptor 4 0.0043 0.001 0.001
Brugia malayi TAR-binding protein 0.0136 0.0449 0.3962
Schistosoma mansoni tar DNA-binding protein 0.0136 0.0449 0.0517
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0262 0.0262
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0061 0.0538
Echinococcus multilocularis kinesin family 1 0.2159 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.037 0.3596
Loa Loa (eye worm) kinesin-like protein KLP2 0.028 0.1133 1
Onchocerca volvulus 0.004 0 0.5
Brugia malayi Thioredoxin reductase 0.0052 0.0055 0.0485
Brugia malayi glutathione reductase 0.0052 0.0055 0.0485
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0061 0.0538
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0262 0.0262
Onchocerca volvulus 0.004 0 0.5
Trypanosoma brucei trypanothione reductase 0.0052 0.0055 1
Loa Loa (eye worm) fli-1 protein 0.0242 0.0953 0.8409
Schistosoma mansoni ets-related 0.0242 0.0953 0.1098
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.0449 0.3962
Plasmodium vivax glutathione reductase, putative 0.0052 0.0055 0.0485
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.037 0.3596
Echinococcus granulosus p2X purinoceptor 4 0.0043 0.001 0.001
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0119 0.037 0.8553
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0055 1
Echinococcus multilocularis p2X purinoceptor 4 0.0043 0.001 0.001
Mycobacterium ulcerans esterase/lipase LipP 0.004 0 0.5
Brugia malayi Fli-1 protein 0.0242 0.0953 0.8409
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0132 0.0433 0.4204
Onchocerca volvulus 0.004 0 0.5
Schistosoma mansoni P2X receptor subunit 0.0043 0.001 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0061 0.0538
Echinococcus granulosus p2X purinoceptor 4 0.0043 0.001 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0262 0.0262

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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