Detailed information for compound 1363763

Basic information

Technical information
  • TDR Targets ID: 1363763
  • Name: 2-phenyl-6-(4-propan-2-ylphenyl)-4,5-dihydrop yridazin-3-one
  • MW: 292.375 | Formula: C19H20N2O
  • H donors: 0 H acceptors: 1 LogP: 3.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)C1=NN(C(=O)CC1)c1ccccc1)C
  • InChi: 1S/C19H20N2O/c1-14(2)15-8-10-16(11-9-15)18-12-13-19(22)21(20-18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
  • InChiKey: MNMPJLPDPBKOCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(4-isopropylphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
  • ZINC04281895
  • STK112093
  • 6-(4-isopropylphenyl)-2-phenyl-4,5-dihydro-3(2H)-pyridazinone
  • MLS000580102
  • SMR000199632

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D 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 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
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
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_131726 All targets in OG5_131726
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.006 0.0476 0.0468
Loa Loa (eye worm) hypothetical protein 0.0182 0.3355 0.3471
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0177 0.3226 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0177 0.3226 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0063 0.0541 0.0189
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0177 0.3226 0.3226
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0063 0.0541 0.1676
Brugia malayi hypothetical protein 0.0182 0.3355 0.3471
Schistosoma mansoni acetyl-CoA carboxylase 0.0465 1 1
Leishmania major carboxylase, putative 0.0177 0.3226 0.3226
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0177 0.3226 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0063 0.0541 0.0541
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0177 0.3226 0.5531
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0063 0.0541 0.1676
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0465 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0336 0.6976 1
Schistosoma mansoni pyruvate carboxylase 0.0177 0.3226 0.3226
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0476 0.0468
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0079 0.0924 0.5
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0079 0.0924 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0359 0.0359
Schistosoma mansoni hypothetical protein 0.0041 0.0027 0.0027
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0063 0.0541 0.0541
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0476 0.0468
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0063 0.0541 0.1676
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0177 0.3226 0.2974
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0448 0.9617 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0063 0.0541 0.1676
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0177 0.3226 0.3226
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0476 0.0468
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0063 0.0541 0.0541
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0063 0.0541 0.0927
Mycobacterium ulcerans pyruvate carboxylase 0.0177 0.3226 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0177 0.3226 0.2974
Trypanosoma brucei unspecified product 0.0116 0.1798 0.1798
Brugia malayi N-terminal motif family protein 0.0218 0.4192 0.4343
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0177 0.3226 0.3226
Echinococcus granulosus geminin 0.0205 0.3877 0.3649
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0465 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0177 0.3226 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0465 1 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0336 0.6976 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0359 0.0359
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0359 0.0346
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0063 0.0541 0.0541
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0359 0.0346
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0063 0.0541 0.1676
Toxoplasma gondii pyruvate carboxylase 0.0177 0.3226 0.3226
Schistosoma mansoni hypothetical protein 0.0205 0.3877 0.3877
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.4192 1
Chlamydia trachomatis biotin carboxylase 0.0161 0.2843 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0177 0.3226 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0063 0.0541 0.0927
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0063 0.0541 0.0927
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0063 0.0541 0.1676
Trypanosoma brucei acetyl-CoA carboxylase 0.0465 1 1
Leishmania major acetyl-CoA carboxylase, putative 0.0465 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0063 0.0541 0.0189
Loa Loa (eye worm) hypothetical protein 0.0218 0.4192 0.4343
Trypanosoma cruzi acetyl-CoA carboxylase 0.0288 0.5832 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0177 0.3226 0.3226
Brugia malayi Carboxyl transferase domain containing protein 0.0448 0.9617 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0177 0.3226 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0177 0.3226 0.3226
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0063 0.0541 0.0541
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0177 0.3226 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0177 0.3226 0.5531
Echinococcus multilocularis geminin 0.0205 0.3877 0.3649
Schistosoma mansoni hypothetical protein 0.0205 0.3877 0.3877
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0359 0.0359
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0063 0.0541 0.1676

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) 5.8584 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) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 25.929 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 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) 89.1251 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) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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