Detailed information for compound 1447519

Basic information

Technical information
  • TDR Targets ID: 1447519
  • Name: 2-(2-methylpropylidene)-4,9-dihydro-3H-carbaz ol-1-one
  • MW: 239.312 | Formula: C16H17NO
  • H donors: 1 H acceptors: 1 LogP: 4.05 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(/C=C/1\CCc2c(C1=O)[nH]c1c2cccc1)C
  • InChi: 1S/C16H17NO/c1-10(2)9-11-7-8-13-12-5-3-4-6-14(12)17-15(13)16(11)18/h3-6,9-10,17H,7-8H2,1-2H3/b11-9+
  • InChiKey: CHJUVFADUKHSOH-PKNBQFBNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2E)-2-(2-methylpropylidene)-4,9-dihydro-3H-carbazol-1-one
  • MLS000696480
  • SMR000336591
  • 9W-0847
  • 2-[(E)-2-methylpropylidene]-2,3,4,9-tetrahydro-1H-carbazol-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0746 0.0026
Onchocerca volvulus 0.0124 0.1116 0.3614
Echinococcus multilocularis cyclin dependent kinase 9 0.0104 0.0728 0.0093
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0448 0.7443 1
Brugia malayi cyclin-dependent kinase 7 homolog 0.0104 0.0728 0.052
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Brugia malayi Endochitinase 0.0087 0.0407 0.0189
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2693 1
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.7443 0.7335
Echinococcus granulosus serine:threonine protein kinase haspin 0.0575 0.9914 1
Onchocerca volvulus Putative endochitinase 0.0087 0.0407 0.0742
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0104 0.0728 0.0093
Loa Loa (eye worm) cuticular endochitinase 0.0078 0.0224 0.0224
Entamoeba histolytica protein kinase, putative 0.0448 0.7443 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0728 0.0093
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0448 0.7443 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0575 0.9914 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0104 0.0728 0.0698
Echinococcus granulosus dual specificity 0.0448 0.7443 0.7335
Echinococcus granulosus dual specificity 0.0105 0.0746 0.0112
Schistosoma mansoni protein kinase 0.0104 0.0728 0.0093
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Echinococcus granulosus serine:threonine protein kinase NLK 0.0104 0.0728 0.0093
Echinococcus multilocularis dual specificity 0.0448 0.7443 0.7335
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Brugia malayi GSG2 0.0575 0.9914 1
Loa Loa (eye worm) microfilarial chitinase 0.0076 0.0183 0.0183
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2908 0.3246
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0105 0.0746 0.0723
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0746 0.0112
Plasmodium vivax hypothetical protein, conserved 0.0124 0.1116 1
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0104 0.0728 0.0093
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0448 0.7443 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.4783 0.4705
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0124 0.1116 0.0511
Onchocerca volvulus Putative endochitinase 0.0087 0.0407 0.0742
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Brugia malayi hypothetical protein 0.0575 0.9914 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0104 0.0728 0.0728
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2908 0.3246
Echinococcus granulosus cyclin dependent kinase 9 0.0104 0.0728 0.0093
Giardia lamblia Kinase, CMGC DYRK 0.0448 0.7443 1
Echinococcus multilocularis dual specificity 0.0448 0.7443 0.7335
Schistosoma mansoni hypothetical protein 0.0575 0.9914 1
Onchocerca volvulus Putative endochitinase 0.0087 0.0407 0.0742
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Entamoeba histolytica protein kinase, putative 0.0105 0.0746 0.0723
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0578 0.9977 1
Onchocerca volvulus 0.0124 0.1116 0.3614
Loa Loa (eye worm) haspin protein kinase 0.0575 0.9914 0.9914
Schistosoma mansoni hypothetical protein 0.0124 0.1116 0.0511
Echinococcus granulosus serine:threonine protein kinase haspin 0.0575 0.9914 1
Plasmodium falciparum conserved protein, unknown function 0.0124 0.1116 1
Echinococcus multilocularis dual specificity 0.0448 0.7443 0.7335
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0104 0.0728 0.0093
Brugia malayi endochitinase 0.0087 0.0407 0.0189
Entamoeba histolytica cell division protein kinase 2, putative 0.0104 0.0728 0.0698
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0575 0.9914 1
Echinococcus granulosus mitogen activated protein kinase 15 0.0104 0.0728 0.0093
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0448 0.7443 1
Loa Loa (eye worm) hypothetical protein 0.01 0.066 0.066
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Entamoeba histolytica hypothetical protein 0.0099 0.0642 0.0579
Brugia malayi Cell division protein kinase 2 0.0104 0.0728 0.052
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0448 0.7443 0.7443
Entamoeba histolytica hypothetical protein 0.0105 0.0746 0.0723
Loa Loa (eye worm) hypothetical protein 0.01 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0124 0.1116 0.1116
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0746 0.0026
Entamoeba histolytica protein kinase domain containing protein 0.0105 0.0746 0.0723
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0448 0.7443 0.745
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0104 0.0728 0.0728
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.0728 0.0698
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Brugia malayi Protein kinase domain containing protein 0.0105 0.0746 0.0539
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Trichomonas vaginalis CMGC family protein kinase 0.0448 0.7443 1
Leishmania major serine/threonine kinase-like protein, putative 0.0104 0.0728 0.0698
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.4783 0.4783
Echinococcus granulosus dual specificity 0.0448 0.7443 0.7335
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0124 0.1116 0.0511
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0578 0.9977 1
Loa Loa (eye worm) chitinase I 0.0078 0.0224 0.0224
Echinococcus granulosus dual specificity 0.0448 0.7443 0.7335
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0105 0.0746 0.0026
Loa Loa (eye worm) haspin protein kinase 0.0575 0.9914 0.9914
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Entamoeba histolytica protein kinase domain containing protein 0.0448 0.7443 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.2926
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0105 0.0746 0.0746
Entamoeba histolytica protein kinase, putative 0.0105 0.0746 0.0723
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0124 0.1116 0.0921
Schistosoma mansoni serine/threonine kinase 0.0104 0.0728 0.0093
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4783 0.6039
Loa Loa (eye worm) hypothetical protein 0.0124 0.1116 0.1116
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0538 0.9183 1
Echinococcus multilocularis dual specificity 0.0105 0.0746 0.0112
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0575 0.9914 1
Brugia malayi Protein kinase domain containing protein 0.0104 0.0728 0.052

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 20.7865 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) 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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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