Detailed information for compound 1453521

Basic information

Technical information
  • TDR Targets ID: 1453521
  • Name: 1-hydroxy-3-phenyl-5H-imidazo[1,5-c]phthalazi n-6-one
  • MW: 277.277 | Formula: C16H11N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.66 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]n2c(nc(c2c2c1cccc2)O)c1ccccc1
  • InChi: 1S/C16H11N3O2/c20-15-12-9-5-4-8-11(12)13-16(21)17-14(19(13)18-15)10-6-2-1-3-7-10/h1-9,21H,(H,18,20)
  • InChiKey: MBHDWLMTFUZMBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000394344
  • SMR000248310
  • T5339066

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.6266 1
Echinococcus granulosus bloom syndrome protein 0.0024 0.192 0.1157
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.192 0.192
Entamoeba histolytica recQ family helicase, putative 0.0024 0.192 0.3755
Toxoplasma gondii aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni hypothetical protein 0.0038 0.418 0.418
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.192 0.1712
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.192 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0863 0.0863
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.6266 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.192 0.2728
Brugia malayi hypothetical protein 0.0043 0.5112 0.6881
Schistosoma mansoni hypothetical protein 0.0017 0.0863 0.0863
Schistosoma mansoni hypothetical protein 0.0017 0.0863 0.0863
Schistosoma mansoni DNA helicase recq1 0.0024 0.192 0.192
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5112 0.465
Loa Loa (eye worm) RecQ helicase 0.0024 0.192 0.2728
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.7038 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.418 0.5939
Loa Loa (eye worm) hypothetical protein 0.0017 0.0863 0.1226
Entamoeba histolytica hypothetical protein 0.0043 0.5112 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.192 0.1157
Echinococcus multilocularis bloom syndrome protein 0.0024 0.192 0.1157
Treponema pallidum ATP-dependent DNA helicase 0.0012 0 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.171 0.0927
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.192 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.192 0.1157
Loa Loa (eye worm) hypothetical protein 0.0055 0.7038 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.6266 0.8903
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.6266 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.192 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5112 0.5112
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.192 0.1157
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.192 0.1712
Schistosoma mansoni hypothetical protein 0.0023 0.171 0.171
Schistosoma mansoni hypothetical protein 0.0017 0.0863 0.0863
Entamoeba histolytica hypothetical protein 0.0043 0.5112 1
Entamoeba histolytica hypothetical protein 0.0043 0.5112 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.192 0.2728
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.418 0.5371
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.7038 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.6266 0.6266
Brugia malayi hypothetical protein 0.0033 0.3338 0.4009
Entamoeba histolytica hypothetical protein 0.0043 0.5112 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.6266 1
Brugia malayi hypothetical protein 0.0051 0.6266 0.875
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0863 0.1226
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.192 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.192 0.1712
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.192 0.192
Schistosoma mansoni DNA helicase recq5 0.0024 0.192 0.192
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.171 0.0927
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.6266 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 1 1
Leishmania major hypothetical protein, conserved 0.0051 0.6266 0.5379
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.7038 1
Schistosoma mansoni hypothetical protein 0.0043 0.5112 0.5112
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.6266 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5112 0.465
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.192 0.1157

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 7.3753 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) 8.2753 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 Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 23.9341 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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