Detailed information for compound 1492914

Basic information

Technical information
  • TDR Targets ID: 1492914
  • Name: 1,2-bis(3-chlorophenyl)-1-methylhydrazine
  • MW: 267.154 | Formula: C13H12Cl2N2
  • H donors: 1 H acceptors: 0 LogP: 5.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NN(c1cccc(c1)Cl)C
  • InChi: 1S/C13H12Cl2N2/c1-17(13-7-3-5-11(15)9-13)16-12-6-2-4-10(14)8-12/h2-9,16H,1H3
  • InChiKey: JABMEMXSFKNHOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,2-bis(3-chlorophenyl)-1-methyl-hydrazine
  • NSC86542
  • NCIOpen2_004840

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0043 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0438 0.0303
Echinococcus granulosus geminin 0.0205 0.3661 0.4139
Brugia malayi hypothetical protein 0.0066 0.0661 0.2076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0438 0.0438
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0066 0.0661 0.5
Schistosoma mansoni amine oxidase 0.0066 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0438 0.0259
Leishmania major UDP-galactopyranose mutase 0.0066 0.0661 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0183 0.0183
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0349 0.1097
Onchocerca volvulus 0.0182 0.3183 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0066 0.0661 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0349 0.1097
Schistosoma mansoni amine oxidase 0.0066 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Echinococcus multilocularis geminin 0.0205 0.3661 0.3543
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0066 0.0661 0.0661
Trypanosoma cruzi UDP-galactopyranose mutase 0.0066 0.0661 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Loa Loa (eye worm) hypothetical protein 0.0051 0.0349 0.1097
Plasmodium vivax hypothetical protein, conserved 0.0066 0.0661 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0066 0.0661 0.2076
Entamoeba histolytica hypothetical protein 0.0043 0.0183 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0183 0.5
Echinococcus multilocularis 0.0066 0.0661 0.0487
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0066 0.0661 0.0487
Schistosoma mansoni hypothetical protein 0.0205 0.3661 0.3661
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0438 0.0259
Brugia malayi hypothetical protein 0.0182 0.3183 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0498 1 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0433 0.8585 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0498 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.3661 0.3661
Entamoeba histolytica hypothetical protein 0.0043 0.0183 0.5
Plasmodium vivax hypothetical protein, conserved 0.0066 0.0661 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0066 0.0661 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0438 0.0438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0438 0.1375
Plasmodium falciparum protoporphyrinogen oxidase 0.0066 0.0661 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0066 0.0661 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0349 0.1097
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0066 0.0661 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0498 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0066 0.0661 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0498 1 0.5
Brugia malayi SWIRM domain containing protein 0.0066 0.0661 0.2076
Brugia malayi hypothetical protein 0.0043 0.0183 0.0575
Entamoeba histolytica hypothetical protein 0.0043 0.0183 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0066 0.0661 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0066 0.0661 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0182 0.3183 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0661 0.2076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0438 0.0303
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0433 0.8585 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0066 0.0661 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0438 0.1375

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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