Detailed information for compound 218036

Basic information

Technical information
  • TDR Targets ID: 218036
  • Name: 3-(2-chlorophenyl)indeno[1,2-c]pyridazin-5-on e
  • MW: 292.719 | Formula: C17H9ClN2O
  • H donors: 0 H acceptors: 3 LogP: 3.31 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1nnc2c(c1)C(=O)c1c2cccc1
  • InChi: 1S/C17H9ClN2O/c18-14-8-4-3-7-12(14)15-9-13-16(20-19-15)10-5-1-2-6-11(10)17(13)21/h1-9H
  • InChiKey: RWYGXPUJCNREAR-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(2-chlorophenyl)-5-indeno[1,2-c]pyridazinone
  • 3-(2-chlorophenyl)indeno[3,2-c]pyridazin-5-one
  • 3-(2-chlorophenyl)-5-indeno[3,2-c]pyridazinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Monoamine oxidase B Starlite/ChEMBL References
Homo sapiens monoamine oxidase B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 531 aa 23.2 %
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase B 520 aa 462 aa 19.7 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 538 aa 21.0 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 539 aa 22.3 %
Onchocerca volvulus Mitochondrial fission process protein 1 homolog Monoamine oxidase B   520 aa 469 aa 22.0 %
Dictyostelium discoideum amine oxidase Monoamine oxidase B   520 aa 489 aa 29.0 %
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase B   520 aa 479 aa 21.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0077 0.0836 0.196
Brugia malayi Cadherin domain containing protein 0.0077 0.0836 0.196
Echinococcus multilocularis neurogenic locus notch protein 0.0077 0.0836 0.1176
Echinococcus multilocularis neural cadherin 0.0077 0.0836 0.1176
Onchocerca volvulus 0.0277 0.3701 0.9994
Echinococcus granulosus slit 2 protein 0.0077 0.0838 0.1182
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Brugia malayi Calcium binding EGF domain containing protein 0.0077 0.0836 0.196
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0051 0.0453 1
Echinococcus granulosus neural cadherin 0.0077 0.0836 0.1176
Onchocerca volvulus 0.0077 0.0836 0.1176
Toxoplasma gondii histone lysine-specific demethylase 0.0051 0.0453 0.4442
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Onchocerca volvulus Dual oxidase homolog 0.0277 0.3701 0.9994
Echinococcus granulosus neurogenic locus protein delta 0.0077 0.0836 0.1176
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0051 0.0453 0.5
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Loa Loa (eye worm) glutaminase 2 0.0316 0.4262 1
Brugia malayi Peroxidasin 0.0277 0.3703 0.8688
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) animal heme peroxidase 0.0277 0.3701 0.8636
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Echinococcus granulosus protein jagged 1 0.0077 0.0836 0.1176
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Brugia malayi EGF-like domain containing protein 0.0077 0.0838 0.1965
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0453 1
Brugia malayi Cadherin domain containing protein 0.0077 0.0836 0.196
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0077 0.0836 0.1176
Brugia malayi amine oxidase, flavin-containing family protein 0.0051 0.0453 0.1064
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0051 0.0453 0.4442
Onchocerca volvulus Peroxidasin homolog 0.0277 0.3703 1
Brugia malayi Calcium binding EGF domain containing protein 0.0077 0.0836 0.196
Brugia malayi Animal haem peroxidase family protein 0.0277 0.3701 0.8683
Trichomonas vaginalis glutaminase, putative 0.0316 0.4262 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0051 0.0453 1
Echinococcus multilocularis neurogenic locus protein delta 0.0077 0.0836 0.1176
Schistosoma mansoni peroxidasin 0.0277 0.3701 0.8527
Brugia malayi Calcium binding EGF domain containing protein 0.0077 0.0836 0.196
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Echinococcus multilocularis slit 2 protein 0.0077 0.0838 0.1182
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Echinococcus multilocularis notch 0.0077 0.0836 0.1176
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Onchocerca volvulus Neurogenic locus notch homolog 0.0077 0.0836 0.1176
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Echinococcus granulosus neurogenic locus notch protein 0.0077 0.0836 0.1176
Loa Loa (eye worm) animal heme peroxidase 0.0277 0.3701 0.8636
Echinococcus multilocularis fibropellin Ia 0.0077 0.0836 0.1176
Loa Loa (eye worm) Notch2 0.0077 0.0836 0.1671
Loa Loa (eye worm) animal heme peroxidase 0.0277 0.3701 0.8636
Brugia malayi Animal haem peroxidase family protein 0.0277 0.3701 0.8683
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Brugia malayi Delta serrate ligand family protein 0.0077 0.0836 0.196
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Onchocerca volvulus 0.0277 0.3701 0.9994
Onchocerca volvulus Slit protein homolog 0.0077 0.0838 0.1182
Loa Loa (eye worm) hypothetical protein 0.0077 0.0838 0.1676
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0051 0.0453 1
Brugia malayi hypothetical protein 0.0051 0.0453 0.1064
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Echinococcus granulosus protein jagged 1 0.0077 0.0836 0.1176
Onchocerca volvulus Chorion peroxidase homolog 0.0277 0.3701 0.9994
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Brugia malayi glutaminase DH11.1 0.0316 0.4262 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Loa Loa (eye worm) notch protein 0.0077 0.0836 0.1671
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.9277 1
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Onchocerca volvulus 0.0077 0.0836 0.1176
Schistosoma mansoni peroxidasin 0.0277 0.3703 0.8532
Toxoplasma gondii EGF family domain-containing protein 0.0077 0.0836 1
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Echinococcus granulosus notch 0.0077 0.0836 0.1176
Mycobacterium ulcerans glutaminase 0.0316 0.4262 0.3989
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Echinococcus granulosus neurogenic locus notch protein 0.0077 0.0836 0.1176
Brugia malayi EGF-like domain containing protein 0.0077 0.0836 0.196
Echinococcus multilocularis protein jagged 1 0.0077 0.0836 0.1176
Echinococcus multilocularis protein jagged 1 0.0077 0.0836 0.1176
Plasmodium falciparum protoporphyrinogen oxidase 0.0051 0.0453 1
Schistosoma mansoni laminin gamma-3 chain 0.0077 0.0836 0.1003
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0077 0.0836 0.1003
Onchocerca volvulus 0.0277 0.3701 0.9994
Echinococcus granulosus fibropellin Ia 0.0077 0.0836 0.1176
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Leishmania major UDP-galactopyranose mutase 0.0051 0.0453 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Echinococcus multilocularis neurogenic locus protein delta 0.0077 0.0836 0.1176
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Echinococcus multilocularis peroxidasin 0.0277 0.3703 1
Echinococcus granulosus protein jagged 2 0.0077 0.0836 0.1176
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0453 1
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0453 1
Brugia malayi Animal haem peroxidase family protein 0.0277 0.3701 0.8683
Schistosoma mansoni glutaminase 0.0316 0.4262 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0.0453 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0051 0.0453 0.5
Onchocerca volvulus 0.0077 0.0836 0.1176
Echinococcus granulosus neurogenic locus notch protein 4 0.0077 0.0836 0.1176
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Loa Loa (eye worm) hypothetical protein 0.0277 0.3703 0.8641
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Onchocerca volvulus Peroxidasin homolog 0.0277 0.3701 0.9994
Loa Loa (eye worm) glutaminase 0.0316 0.4262 1
Onchocerca volvulus 0.0077 0.0836 0.1176
Schistosoma mansoni cell polarity protein 0.0077 0.0836 0.1003
Echinococcus multilocularis neurogenic locus notch protein 0.0077 0.0836 0.1176
Onchocerca volvulus Putative cubilin 0.0077 0.0836 0.1176
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Schistosoma mansoni septate junction protein 0.0077 0.0836 0.1003
Brugia malayi GCC2 and GCC3 family protein 0.0077 0.0836 0.196
Echinococcus multilocularis fat cadherin tumor suppressor 0.0077 0.0836 0.1176
Brugia malayi Muscle positioning protein 4 0.0077 0.0836 0.196
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Brugia malayi hypothetical protein 0.0277 0.3701 0.8683
Onchocerca volvulus 0.0077 0.0836 0.1176
Brugia malayi Animal haem peroxidase family protein 0.0277 0.3701 0.8683
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0051 0.0453 0.0742
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0148 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Echinococcus granulosus delta-like protein 1 0.0077 0.0836 0.1176
Loa Loa (eye worm) blistered cuticle protein 3 0.0277 0.3701 0.8636
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Echinococcus multilocularis protein jagged 2 0.0077 0.0836 0.1176
Giardia lamblia High cysteine protein 0.0077 0.0836 0.5
Brugia malayi Animal haem peroxidase family protein 0.0277 0.3701 0.8683
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Schistosoma mansoni hypothetical protein 0.0077 0.0836 0.1003
Brugia malayi hypothetical protein 0.0029 0.0148 0.0347
Brugia malayi notch-like transmembrane receptor 0.0077 0.0836 0.196
Loa Loa (eye worm) animal heme peroxidase 0.0277 0.3701 0.8636
Schistosoma mansoni notch 0.0077 0.0836 0.1003
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0453 1
Onchocerca volvulus Peroxidase homolog 0.0277 0.3701 0.9994
Schistosoma mansoni slit 0.0077 0.0838 0.1008
Echinococcus granulosus protein jagged 2 0.0077 0.0836 0.1176
Brugia malayi Blistered cuticle protein 3 0.0277 0.3701 0.8683
Loa Loa (eye worm) hypothetical protein 0.0277 0.3701 0.8636
Brugia malayi SWIRM domain containing protein 0.0051 0.0453 0.1064
Echinococcus granulosus peroxidasin 0.0277 0.3703 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Loa Loa (eye worm) hypothetical protein 0.0077 0.0836 0.1671
Echinococcus multilocularis neurogenic locus notch protein 4 0.0077 0.0836 0.1176
Onchocerca volvulus Peroxidase homolog 0.0277 0.3701 0.9994

Activities

Activity type Activity value Assay description Source Reference
clogP = 3.69 Calculated partition coefficient (clogP) ChEMBL. 9748356
IC50 (binding) = -4.8 Inhibitory activity against against Monoamine oxidase B ChEMBL. 9748356
IC50 (binding) = 4.8 Inhibition of rat brain MAOB ChEMBL. 17034132
IC50 (binding) = 6.72 Inhibition of human supersomes MAOB ChEMBL. 17034132
IC50 (binding) = 15.9 uM Ability to inhibit Monoamine oxidase B enzyme ChEMBL. 7562919
IC50 (binding) = 15.9 uM Ability to inhibit Monoamine oxidase B enzyme ChEMBL. 7562919
IC50 (binding) > 50 uM Ability to inhibit Monoamine oxidase A enzyme ChEMBL. 7562919
IC50 (binding) > 50 uM Ability to inhibit Monoamine oxidase A enzyme ChEMBL. 7562919
Inhibition (binding) = 40 % Ability to inhibit Monoamine oxidase A enzyme ChEMBL. 7562919
Inhibition (binding) = 40 % Ability to inhibit Monoamine oxidase A enzyme ChEMBL. 7562919
Log IC50 (binding) = 4.8 Inhibitory activity against against Monoamine oxidase B ChEMBL. 9748356
Log IC50 (binding) = 4.8 Inhibition of rat brain MAOB ChEMBL. 17034132
Log IC50 (binding) = 6.72 Inhibition of human supersomes MAOB ChEMBL. 17034132

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

3 literature references were collected for this gene.

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