Detailed information for compound 1444761

Basic information

Technical information
  • TDR Targets ID: 1444761
  • Name: 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]ami no]phenyl]acetamide
  • MW: 384.431 | Formula: C23H20N4O2
  • H donors: 2 H acceptors: 3 LogP: 3.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)CC(=O)N
  • InChi: 1S/C23H20N4O2/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(27-26-22)25-17-10-6-15(7-11-17)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)
  • InChiKey: MAECILYKCQUQAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
  • 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]ethanamide
  • ZINC02227140
  • 2-{4-[4-(4-Methoxy-phenyl)-phthalazin-1-ylamino]-phenyl}-acetamide
  • MLS000591142
  • SMR000217990
  • STOCK3S-05560

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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 granulosus guanine nucleotide binding protein Gs 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 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
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0104 0.1712 0.2706
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0513 1 1
Trypanosoma brucei Fatty acid elongase 0.0513 1 1
Brugia malayi GNS1/SUR4 family protein 0.0513 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0344 0.1171
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0344 0.1054
Loa Loa (eye worm) fatty acid elongation protein 3 0.0104 0.1712 0.1712
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0732 0.2493
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0104 0.1712 0.1417
Brugia malayi fatty acid elongation protein 3 0.0104 0.1712 0.1712
Echinococcus multilocularis muscleblind protein 0.018 0.3264 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0104 0.1712 0.583
Brugia malayi Muscleblind-like protein 0.018 0.3264 0.3264
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0732 0.2243
Trypanosoma cruzi fatty acid elongase, putative 0.0513 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.3264 1
Leishmania major fatty acid elongase, putative 0.0513 1 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2937 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5401 0.5
Brugia malayi Pre-SET motif family protein 0.0036 0.0344 0.0344
Schistosoma mansoni hypothetical protein 0.0152 0.269 0.9159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0732 0.2243
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0317 0.0972
Onchocerca volvulus 0.0104 0.1712 0.2706
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0104 0.1712 0.1712
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0513 1 1
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0104 0.1712 0.2706
Echinococcus granulosus elongation of very long chain fatty acids 0.0104 0.1712 0.5246
Loa Loa (eye worm) hypothetical protein 0.0041 0.0447 0.0447
Schistosoma mansoni hypothetical protein 0.0041 0.0447 0.1523
Echinococcus multilocularis elongation of very long chain fatty acids 0.0104 0.1712 0.5246
Brugia malayi fatty acid elongation protein 3 0.0104 0.1712 0.1712
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.2937 0.8998
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0104 0.1712 0.1712
Leishmania major fatty acid elongase, putative 0.0513 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.2607 0.4476
Onchocerca volvulus 0.0286 0.5401 1
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0513 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.2607 0.4476
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.018 0.3264 0.3264
Loa Loa (eye worm) hypothetical protein 0.018 0.3264 0.3264
Toxoplasma gondii fatty acid elongase 0.0104 0.1712 0.1417
Schistosoma mansoni elongation of fatty acids protein 1 0.0104 0.1712 0.583
Schistosoma mansoni elongation of fatty acids protein 1 0.0104 0.1712 0.583
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0832 0.0832
Loa Loa (eye worm) hypothetical protein 0.006 0.0832 0.0832
Toxoplasma gondii GNS1/SUR4 family protein 0.0513 1 1
Trypanosoma cruzi fatty acid elongase, putative 0.0513 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0832 0.0832
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0732 0.2493
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0344 0.1171
Echinococcus granulosus muscleblind protein 0.018 0.3264 1
Loa Loa (eye worm) ELO-9 protein 0.0104 0.1712 0.1712
Leishmania major fatty acid elongase, putative 0.0513 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0513 1 1
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0513 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0104 0.1712 0.1712
Trypanosoma cruzi fatty acid elongase, putative 0.0513 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0344 0.1054
Loa Loa (eye worm) hypothetical protein 0.0148 0.2607 0.2607
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0732 0.0732
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0344 0.1171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0344 0.1171
Loa Loa (eye worm) hypothetical protein 0.0104 0.1712 0.1712
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0832 0.0832
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0732 0.2243
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0104 0.1712 0.2706
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2937 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0104 0.1712 0.1712
Echinococcus granulosus elongation of very long chain fatty acids 0.0104 0.1712 0.5246
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0732 0.0732
Schistosoma mansoni elongation of fatty acids protein 1 0.0104 0.1712 0.583
Trypanosoma cruzi fatty acid elongase, putative 0.0513 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.269 0.8242
Schistosoma mansoni fatty acid acyl transferase-related 0.0104 0.1712 0.583
Onchocerca volvulus 0.0104 0.1712 0.2706
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0344 0.1054
Brugia malayi fatty acid elongation protein 3 0.0104 0.1712 0.1712
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.269 0.8242
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4699 0.4699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0732 0.2493
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0513 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0344 0.0344
Brugia malayi Pre-SET motif family protein 0.0251 0.4699 0.4699
Echinococcus multilocularis elongation of very long chain fatty acids 0.0104 0.1712 0.5246
Brugia malayi hypothetical protein 0.0148 0.2607 0.2607
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0104 0.1712 0.1417
Brugia malayi GNS1/SUR4 family protein 0.0104 0.1712 0.1712
Brugia malayi fatty acid elongation protein 3 0.0104 0.1712 0.1712
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0732 0.2243
Loa Loa (eye worm) hypothetical protein 0.0148 0.2607 0.2607

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 23.204 uM PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938] ChEMBL. No reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) = 23.7558 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 32.6427 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) = 35.4813 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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