Detailed information for compound 1632015

Basic information

Technical information
  • TDR Targets ID: 1632015
  • Name: 2-[1-(4-chlorophenyl)ethylideneamino]guanidin e
  • MW: 210.663 | Formula: C9H11ClN4
  • H donors: 2 H acceptors: 0 LogP: 1.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N\N=C(N)N)/c1ccc(cc1)Cl
  • InChi: 1S/C9H11ClN4/c1-6(13-14-9(11)12)7-2-4-8(10)5-3-7/h2-5H,1H3,(H4,11,12,14)/b13-6+
  • InChiKey: NBHBAGUAKHKQAS-AWNIVKPZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000263916
  • T0510-8416
  • NCIOpen2_003152
  • MLS000408902

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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 tail domain-containing 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 japonicum expressed 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
Loa Loa (eye worm) intermediate filament 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi 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 cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0136 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0061 0.0465 0.0657
Brugia malayi hypothetical protein 0.0183 0.174 0.2532
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0136 0.5
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0317 0.0465
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0673 0.682 1
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0317 0.044
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0465 0.0682
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0136 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0136 0.5
Schistosoma mansoni lamin 0.0033 0.0175 0.0205
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0175 0.0256
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0307 0.302 0.302
Loa Loa (eye worm) hypothetical protein 0.0183 0.174 0.2552
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0036 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0136 1
Echinococcus granulosus solute carrier family 5 0.0046 0.0317 0.0465
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0036 0.0036
Schistosoma mansoni sodium/solute symporter 0.0046 0.0317 0.0415
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0048 0.1199
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.006 1
Brugia malayi GH02984p 0.042 0.4193 0.6138
Giardia lamblia Kinase, TTK 0.0307 0.302 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0266 0.0365
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0673 0.682 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0136 0.0199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0061 0.0465 0.0682
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.0088
Loa Loa (eye worm) hypothetical protein 0.0029 0.0136 0.0199
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0307 0.302 0.4315
Echinococcus granulosus GPCR family 2 0.0019 0.0036 0.0052
Echinococcus multilocularis lamin dm0 0.0033 0.0175 0.0175
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0061 0.0465 0.0657
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0673 0.682 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.006 0.2422
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0029 0.0136 0.0199
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0307 0.302 0.4398
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0018 0.0026
Schistosoma mansoni hypothetical protein 0.0041 0.0266 0.034
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0317 0.0465
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0136 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0175 0.0256
Loa Loa (eye worm) hypothetical protein 0.0046 0.0317 0.0465
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.0088
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0036 0.0036
Brugia malayi isocitrate dehydrogenase 0.0019 0.0036 0.0026
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0136 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0136 1
Onchocerca volvulus 0.0183 0.174 0.2401
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0317 0.0317
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0136 0.0173
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0317 0.0317
Brugia malayi intermediate filament protein 0.0033 0.0175 0.0231
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0136 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0175 0.0231
Brugia malayi Protein kinase domain containing protein 0.0307 0.302 0.4413
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0136 0.0173
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.0088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0036 0.0036
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0673 0.682 1
Echinococcus granulosus lamin dm0 0.0033 0.0175 0.0256
Loa Loa (eye worm) hypothetical protein 0.0032 0.0169 0.0247
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0317 0.0465
Schistosoma mansoni high-affinity choline transporter 0.042 0.4193 0.6128
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0036 0.0053
Echinococcus granulosus high affinity choline transporter 1 0.042 0.4193 0.6149
Schistosoma mansoni lamin 0.0033 0.0175 0.0205
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0175 0.0256
Schistosoma mansoni inositol transporter 0.0046 0.0317 0.0415
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0036 0.5
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.042 0.4193 0.6149
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.006 1
Trichomonas vaginalis CAMK family protein kinase 0.0307 0.302 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0673 0.682 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0036 0.0053
Echinococcus multilocularis musashi 0.0033 0.0175 0.0175
Schistosoma mansoni inositol transporter 0.0046 0.0317 0.0415
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0136 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0036 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0307 0.302 0.5
Echinococcus granulosus geminin 0.0205 0.1961 0.2875
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0048 0.1199
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0036 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0036 0.0036
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.4193 0.4193
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0136 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0048 0.1199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0036 0.0052
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0136 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0136 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0266 0.039
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.0052
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0673 0.682 1
Brugia malayi Protein kinase domain containing protein 0.0673 0.682 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.0088
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.0088
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0136 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0673 0.682 0.682
Echinococcus granulosus lamin 0.0033 0.0175 0.0256
Echinococcus multilocularis geminin 0.0205 0.1961 0.1961
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0136 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0175 0.0205
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0036 0.0026
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0036 0.0036
Onchocerca volvulus 0.0033 0.0175 0.0059
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0036 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0036 0.0052
Echinococcus multilocularis lamin 0.0033 0.0175 0.0175
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0036 0.0052
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0036 0.0036
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0033 0.0175 0.0256
Mycobacterium ulcerans hypothetical protein 0.0029 0.0136 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0136 1
Echinococcus multilocularis solute carrier family 5 0.0046 0.0317 0.0317
Loa Loa (eye worm) TTK protein kinase 0.0307 0.302 0.4428
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0036 0.0036
Onchocerca volvulus 0.0046 0.0317 0.0272
Schistosoma mansoni hypothetical protein 0.0205 0.1961 0.2837
Schistosoma mansoni hypothetical protein 0.0205 0.1961 0.2837
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0048 0.1199
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0317 0.0465
Onchocerca volvulus 0.0033 0.0175 0.0059
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0136 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0307 0.302 0.4428
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0136 0.0173

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 4.007484907 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 7.393150462 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
Potency (functional) 2.5929 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) 4.1475 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) 6.5733 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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