Detailed information for compound 1387157

Basic information

Technical information
  • TDR Targets ID: 1387157
  • Name: 2-amino-4-(3-bromophenyl)-6-pyridin-3-ylpyrid ine-3-carbonitrile
  • MW: 351.2 | Formula: C17H11BrN4
  • H donors: 1 H acceptors: 3 LogP: 3.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc(cc1c1cccc(c1)Br)c1cccnc1
  • InChi: 1S/C17H11BrN4/c18-13-5-1-3-11(7-13)14-8-16(12-4-2-6-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22)
  • InChiKey: BOEITQUNAFNQTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-(3-bromophenyl)-6-(3-pyridyl)pyridine-3-carbonitrile
  • 2-amino-4-(3-bromophenyl)-6-(3-pyridyl)-3-pyridinecarbonitrile
  • 2-amino-4-(3-bromophenyl)-6-(3-pyridyl)nicotinonitrile
  • 2-amino-4-(3-bromophenyl)-6-pyridin-3-yl-pyridine-3-carbonitrile
  • 6-Amino-4-(3-bromo-phenyl)-[2,3']bipyridinyl-5-carbonitrile
  • MLS000580845
  • SMR000220257
  • STOCK4S-23869

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0076 0.3155 0.31
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0694 0.2114
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0808 0.2561
Echinococcus multilocularis lamin 0.0033 0.0808 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.31
Loa Loa (eye worm) RNA binding protein 0.0076 0.3155 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0694 1
Echinococcus multilocularis lamin dm0 0.0033 0.0808 0.0734
Echinococcus granulosus lamin dm0 0.0033 0.0808 0.0734
Loa Loa (eye worm) hypothetical protein 0.003 0.0694 0.22
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2985 0.2929
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2985 0.5
Brugia malayi hypothetical protein 0.003 0.0694 0.22
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0808 0.2561
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3155 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2862 0.2805
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2985 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.2862 0.2805
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.31
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0694 0.2114
Brugia malayi jmjC domain containing protein 0.0019 0.008 0.0253
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.2862 0.2805
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.2862 0.2805
Echinococcus granulosus lamin 0.0033 0.0808 0.0734
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2985 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.31
Brugia malayi intermediate filament protein 0.0033 0.0808 0.2561
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2985 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2985 0.2929
Brugia malayi hypothetical protein 0.002 0.0118 0.0373
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.008 0.0253
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0694 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3155 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2985 0.2929
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3155 0.31
Brugia malayi jmjC domain containing protein 0.0019 0.008 0.0253
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0808 0.2561
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2985 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0253
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.2862 0.9073
Brugia malayi jmjC domain containing protein 0.0071 0.2862 0.9073
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.008 0.0253
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.31
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.2862 0.2805
Brugia malayi jmjC domain containing protein 0.0019 0.008 0.0253
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0253
Schistosoma mansoni intermediate filament proteins 0.0033 0.0808 0.0734
Echinococcus granulosus intermediate filament protein 0.0033 0.0808 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.31
Schistosoma mansoni lamin 0.0033 0.0808 0.0734
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2985 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.008 0.0253
Brugia malayi jmjC domain containing protein 0.0019 0.008 0.0253
Brugia malayi TAR-binding protein 0.0076 0.3155 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0808 0.2561
Onchocerca volvulus 0.0033 0.0808 0.5
Schistosoma mansoni jumonji domain containing protein 0.0071 0.2862 0.2805
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0253
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2985 0.2929
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3155 1
Echinococcus multilocularis musashi 0.0033 0.0808 0.0734
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0776 0.246
Schistosoma mansoni lamin 0.0033 0.0808 0.0734
Onchocerca volvulus 0.0033 0.0808 0.5
Brugia malayi jmjC domain containing protein 0.0071 0.2862 0.9073
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0694 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.2862 0.2805
Brugia malayi RNA binding protein 0.0076 0.3155 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2311 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23

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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