Detailed information for compound 107238

Basic information

Technical information
  • TDR Targets ID: 107238
  • Name: 2-Acetylamino-9-fluorenol
  • MW: 239.269 | Formula: C15H13NO2
  • H donors: 2 H acceptors: 2 LogP: 1.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)C(O)c1c2cccc1
  • InChi: 1S/C15H13NO2/c1-9(17)16-10-6-7-12-11-4-2-3-5-13(11)15(18)14(12)8-10/h2-8,15,18H,1H3,(H,16,17)
  • InChiKey: AWIRWBJUFQZCLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-13-00-02241 (Beilstein Handbook Reference)
  • 57229-41-1
  • 9-Hydroxy-2-fluorenylacetamide
  • 9-Hydroxyacetylaminofluorene
  • Acetamide, N-(9-hydroxyfluoren-2-yl)-
  • Acetamide, N-(9-hydroxy-9H-fluoren-2-yl)-
  • BRN 2738196
  • CCRIS 7422
  • N-(9-hydroxy-9H-fluoren-2-yl)acetamide
  • N-(9-hydroxy-9H-fluoren-2-yl)ethanamide
  • N-(9-Hydroxyfluoren-2-yl)acetamide
  • NSC12397
  • WLN: L B656 HHJ EMV1 HQ

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Monoamine oxidase A 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
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase A   526 aa 464 aa 21.6 %
Dictyostelium discoideum amine oxidase Monoamine oxidase A   526 aa 491 aa 31.0 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase A   526 aa 518 aa 22.4 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase A   526 aa 524 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neuroligin 0.0076 0.0988 0.1568
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0296 0.026
Brugia malayi hypothetical protein 0.0009 0.0071 0.0079
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0296 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0296 0.0485
Loa Loa (eye worm) carboxylesterase 0.0076 0.0988 0.1588
Toxoplasma gondii histone lysine methyltransferase SET1 0.0049 0.0623 1
Echinococcus granulosus expressed conserved protein 0.0083 0.1095 0.1745
Echinococcus multilocularis nibrin 0.0009 0.0071 0.0034
Echinococcus multilocularis BC026374 protein (S09 family) 0.0076 0.0988 0.0954
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0305 0.0464
Echinococcus multilocularis 0.0025 0.0296 0.026
Loa Loa (eye worm) hypothetical protein 0.0038 0.0473 0.074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0055 0.0704 0.1154
Schistosoma mansoni hypothetical protein 0.0369 0.5019 0.823
Echinococcus multilocularis sterol regulatory element binding protein 0.0038 0.0473 0.0437
Onchocerca volvulus 0.0076 0.0988 1
Schistosoma mansoni hypothetical protein 0.0037 0.0454 0.0744
Echinococcus granulosus Protein patched homolog 1 0.0038 0.0473 0.0718
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0027 0.0318 0.491
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0296 1
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0296 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0296 0.0427
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Schistosoma mansoni hypothetical protein 0.0032 0.0395 0.0648
Brugia malayi hypothetical protein 0.0032 0.0395 0.0612
Mycobacterium ulcerans carboxylesterase, LipT 0.0076 0.0988 0.1908
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Plasmodium falciparum replication factor C subunit 1, putative 0.0009 0.0071 0.1759
Schistosoma mansoni cpg binding protein 0.0026 0.0305 0.05
Onchocerca volvulus 0.0026 0.0305 0.2922
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0296 1
Echinococcus granulosus Niemann Pick C1 protein 0.0127 0.1693 0.2731
Schistosoma mansoni topbp1 0.0009 0.0071 0.0116
Brugia malayi hypothetical protein 0.0009 0.0071 0.0079
Trichomonas vaginalis spcc417.12 protein, putative 0.0076 0.0988 1
Plasmodium vivax replication factor C subunit 1, putative 0.0009 0.0071 0.1759
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0296 0.0485
Toxoplasma gondii ATPase, AAA family protein 0.0009 0.0071 0.08
Schistosoma mansoni acetylcholinesterase 0.0076 0.0988 0.162
Echinococcus multilocularis protein dispatched 1 0.0043 0.0547 0.0511
Echinococcus multilocularis replication factor c subunit 1 0.0009 0.0071 0.0034
Echinococcus granulosus carboxylesterase 5A 0.0447 0.6098 1
Loa Loa (eye worm) histone methyltransferase 0.0008 0.0059 0.0059
Echinococcus multilocularis Niemann Pick C1 protein 0.0089 0.1169 0.1136
Echinococcus granulosus acetylcholinesterase 0.0447 0.6098 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0395 0.059
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0473 0.4623
Schistosoma mansoni topbp1 0.0009 0.0071 0.0116
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0296 1
Schistosoma mansoni hypothetical protein 0.0037 0.0454 0.0744
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Brugia malayi SWIRM domain containing protein 0.0025 0.0296 0.045
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0038 0.0473 0.074
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0009 0.0071 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0059 0.0036
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0058 0.0057
Mycobacterium ulcerans dehydrogenase 0.0025 0.0296 0.0468
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Brugia malayi DKFZp564C0469 protein 0.0009 0.0071 0.0079
Onchocerca volvulus 0.0076 0.0988 1
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0296 0.4549
Schistosoma mansoni amine oxidase 0.0025 0.0296 0.0485
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.0988 0.1634
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Entamoeba histolytica hypothetical protein 0.0032 0.0395 0.2949
Onchocerca volvulus 0.0025 0.0296 0.283
Brugia malayi topoisomerase 0.0009 0.0071 0.0079
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Entamoeba histolytica hypothetical protein 0.0032 0.0395 0.2949
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0395 0.0648
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.0988 0.1634
Brugia malayi Carboxylesterase family protein 0.0447 0.6098 1
Echinococcus multilocularis carboxylesterase 5A 0.0447 0.6098 0.6084
Brugia malayi CHE-14 protein 0.0038 0.0473 0.074
Echinococcus multilocularis expressed conserved protein 0.0083 0.1095 0.1062
Echinococcus granulosus BC026374 protein S09 family 0.0076 0.0988 0.1568
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0009 0.0071 0.0000031374
Brugia malayi Carboxylesterase family protein 0.0076 0.0988 0.1588
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0296 1
Echinococcus granulosus cpg binding protein 0.0027 0.0325 0.0475
Loa Loa (eye worm) carboxylesterase 0.0076 0.0988 0.1588
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0296 0.0468
Echinococcus multilocularis acetylcholinesterase 0.0447 0.6098 0.6084
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0009 0.0071 0.0432
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Echinococcus multilocularis protein patched 0.0038 0.0473 0.0437
Treponema pallidum DNA ligase (lig) 0.0009 0.0071 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0296 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0076 0.0988 0.162
Echinococcus granulosus nibrin 0.0009 0.0071 0.0055
Schistosoma mansoni niemann-pick C1 (NPC1) 0.009 0.1188 0.1948
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0009 0.0071 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0071 0.0432
Schistosoma mansoni BC026374 protein (S09 family) 0.0076 0.0988 0.162
Echinococcus multilocularis neuroligin 0.0076 0.0988 0.0954
Schistosoma mansoni cpg binding protein 0.0027 0.0325 0.0533
Loa Loa (eye worm) carboxylesterase 0.0447 0.6098 1
Onchocerca volvulus 0.0009 0.0071 0.0498
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0037 0.0061
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0296 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0447 0.6098 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0071 0.0432
Echinococcus multilocularis dnaJ subfamily B 0.0369 0.5019 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0009 0.0071 0.0432
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Brugia malayi Pax transcription activation domain interacting protein 0.0009 0.0071 0.0079
Brugia malayi Carboxylesterase family protein 0.0447 0.6098 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.059 0.0934
Schistosoma mansoni hypothetical protein 0.0037 0.0454 0.0744
Echinococcus granulosus sterol regulatory element binding protein 0.0038 0.0473 0.0718
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0296 1
Schistosoma mansoni hypothetical protein 0.0037 0.0454 0.0744
Echinococcus multilocularis Niemann Pick C1 protein 0.0127 0.1693 0.1662
Loa Loa (eye worm) hypothetical protein 0.0089 0.1169 0.1887
Entamoeba histolytica hypothetical protein 0.0032 0.0395 0.2949
Leishmania major UDP-galactopyranose mutase 0.0025 0.0296 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0296 0.026
Loa Loa (eye worm) hypothetical protein 0.0009 0.0071 0.0079
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Schistosoma mansoni cpg binding protein 0.0027 0.0325 0.0533
Echinococcus granulosus para nitrobenzyl esterase 0.0076 0.0988 0.1568
Entamoeba histolytica hypothetical protein 0.0032 0.0395 0.2949
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0076 0.0988 0.1568
Onchocerca volvulus 0.0076 0.0988 1
Echinococcus granulosus dnaJ subfamily B 0.0369 0.5019 0.8219
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0296 0.0427
Schistosoma mansoni gliotactin 0.0076 0.0988 0.162
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0296 1
Brugia malayi Carboxylesterase family protein 0.0076 0.0988 0.1588
Echinococcus granulosus acetylcholinesterase 0.0447 0.6098 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.4531 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0296 0.045
Loa Loa (eye worm) hypothetical protein 0.0447 0.6098 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0089 0.1169 0.1887
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0089 0.1169 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0071 0.0432
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0988 0.162
Echinococcus multilocularis para nitrobenzyl esterase 0.0076 0.0988 0.0954
Echinococcus multilocularis cpg binding protein 0.0027 0.0325 0.0289
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0071 0.0432
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0296 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0988 0.162
Brugia malayi Carboxylesterase family protein 0.0076 0.0988 0.1588
Loa Loa (eye worm) hypothetical protein 0.0447 0.6098 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0009 0.0071 0.0432
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0076 0.0988 0.0954
Mycobacterium ulcerans oxidoreductase 0.0025 0.0296 0.0468
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.4878 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0009 0.0071 0.0432
Giardia lamblia Replication factor C, subunit 1 0.0009 0.0071 0.5
Brugia malayi hypothetical protein 0.0025 0.0296 0.045
Schistosoma mansoni chromosome transmission fidelity factor 0.0009 0.0071 0.0116
Onchocerca volvulus 0.0076 0.0988 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0071 0.0432
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.045
Schistosoma mansoni patched 1 0.0038 0.0473 0.0775
Loa Loa (eye worm) acetylcholinesterase 1 0.0447 0.6098 1
Onchocerca volvulus 0.0076 0.0988 1
Echinococcus granulosus replication factor c subunit 1 0.0009 0.0071 0.0055
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0076 0.0988 1
Echinococcus granulosus Niemann Pick C1 protein 0.0089 0.1169 0.1867
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0059 0.0022
Brugia malayi CXXC zinc finger family protein 0.0026 0.0305 0.0464
Schistosoma mansoni DNA ligase IV 0.0009 0.0071 0.0116
Brugia malayi hypothetical protein 0.0076 0.0988 0.1588
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.4878 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0988 0.162
Loa Loa (eye worm) hypothetical protein 0.0076 0.0988 0.1588
Schistosoma mansoni amine oxidase 0.0025 0.0296 0.0485
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0009 0.0071 0.0432
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0296 0.0468
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0395 0.0359
Mycobacterium tuberculosis Carboxylesterase LipT 0.0076 0.0988 0.1634
Echinococcus multilocularis acetylcholinesterase 0.0447 0.6098 0.6084
Brugia malayi Carboxylesterase family protein 0.0076 0.0988 0.1588
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0009 0.0071 0.0079
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0009 0.0071 0.08

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0 pm/min/mg Specific activity of expressed human recombinant UGT1A6 ChEMBL. 10836148
Activity (ADMET) = 0 pm/min/mg Specific activity of expressed human recombinant UGT2B7 ChEMBL. 10836148
Activity (ADMET) = 1 pm/min/mg Specific activity of expressed human recombinant UGT1A10 ChEMBL. 10836148
Activity (ADMET) = 1 pm/min/mg Specific activity of expressed human recombinant UGT1A8 ChEMBL. 10836148
IC50 (binding) = 0.3 uM Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]-5-HT ChEMBL. 8027990
IC50 (binding) = 0.3 uM Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]-5-HT ChEMBL. 8027990

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

2 literature references were collected for this gene.

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