Detailed information for compound 1647966

Basic information

Technical information
  • TDR Targets ID: 1647966
  • Name: N,N-diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a- yl)acetamide
  • MW: 284.396 | Formula: C18H24N2O
  • H donors: 0 H acceptors: 1 LogP: 2.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)CC12CCCCC1=Nc1c2cccc1)CC
  • InChi: 1S/C18H24N2O/c1-3-20(4-2)17(21)13-18-12-8-7-11-16(18)19-15-10-6-5-9-14(15)18/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
  • InChiKey: SDFGIUVJNPWOFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)ethanamide
  • N,N-Diethyl-2-(1,2,3,4-tetrahydro-4aH-carbazol-4a-yl)acetamide
  • NSC643522
  • NCI60_014753
  • AIDS-137930
  • AIDS137930

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1111 0.4591 0.4591
Entamoeba histolytica hypothetical protein 0.0035 0.0008 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0253 0.0541
Loa Loa (eye worm) hypothetical protein 0.0048 0.0066 0.0143
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0587 0.2359 0.5133
Brugia malayi nuclear receptor NHR-67 0.0524 0.2091 0.4556
Plasmodium vivax glutathione reductase, putative 0.0046 0.0054 0.5
Schistosoma mansoni thyroid hormone receptor 0.1111 0.4591 0.4591
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1111 0.4591 1
Brugia malayi jmjC domain containing protein 0.0092 0.0253 0.0551
Brugia malayi hypothetical protein 0.0587 0.2359 0.5139
Brugia malayi Nuclear hormone receptor-like 1 0.0587 0.2359 0.5139
Brugia malayi photoreceptor-specific nuclear receptor 0.1111 0.4591 1
Schistosoma mansoni nuclear receptor 0.0524 0.2091 0.2091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1111 0.4591 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1111 0.4591 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0065 0.0142
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0065 0.0142
Schistosoma mansoni thyroid hormone receptor 0.1111 0.4591 0.4591
Echinococcus granulosus Nuclear hormone receptor HR96 0.0524 0.2091 0.455
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0354 1
Brugia malayi orphan nuclear receptor NR2E1 0.0524 0.2091 0.4556
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0054 0.0108
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0172 0.0172
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0008 0.0006
Schistosoma mansoni steroid hormone receptor ad4bp 0.1111 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Echinococcus multilocularis FTZ F1 alpha 0.1111 0.4591 1
Brugia malayi jmjC domain containing protein 0.0034 0.0005 0.0011
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0587 0.2359 0.5133
Loa Loa (eye worm) hypothetical protein 0.0587 0.2359 0.5139
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1111 0.4591 1
Schistosoma mansoni nuclear hormone receptor 0.0524 0.2091 0.2091
Echinococcus granulosus ecdysone induced protein 78C 0.1111 0.4591 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0054 0.0119
Brugia malayi nuclear receptor RXR 0.0524 0.2091 0.4556
Brugia malayi Nuclear hormone receptor E75 0.0524 0.2091 0.4556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1111 0.4591 1
Entamoeba histolytica hypothetical protein 0.0035 0.0008 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1111 0.4591 1
Brugia malayi tailless protein 0.0524 0.2091 0.4556
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1111 0.4591 0.4591
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0354 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1111 0.4591 1
Brugia malayi Nuclear hormone receptor-like 1 0.0587 0.2359 0.5139
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0027 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1111 0.4591 1
Brugia malayi steroid hormone receptor 0.1111 0.4591 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0524 0.2091 0.455
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0587 0.2359 0.5139
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0005 0.0011
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Loa Loa (eye worm) nuclear receptor NHR-67 0.0524 0.2091 0.4556
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0524 0.2091 0.455
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi Nuclear hormone receptor-like 1 0.1111 0.4591 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1111 0.4591 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0524 0.2091 0.4556
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0587 0.2359 0.2359
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.0304 0.8342
Echinococcus multilocularis ecdysone induced protein 78C 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0354 1
Schistosoma mansoni hypothetical protein 0.0035 0.0008 0.0008
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0524 0.2091 0.4556
Echinococcus granulosus nuclear receptor nhr 48 0.0524 0.2091 0.455
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0524 0.2091 0.455
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1111 0.4591 1
Schistosoma mansoni nuclear hormone receptor 0.1111 0.4591 0.4591
Brugia malayi conserved hypotetical protein 0.0524 0.2091 0.4556
Schistosoma mansoni zinc finger protein 0.0524 0.2091 0.2091
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1111 0.4591 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0304 0.8342
Loa Loa (eye worm) glutathione reductase 0.0046 0.0054 0.0119
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1111 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0054 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1111 0.4591 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0065 0.0142
Echinococcus granulosus thyroid hormone receptor alpha 0.0524 0.2091 0.455
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1111 0.4591 0.4591
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1111 0.4591 1
Brugia malayi glutathione reductase 0.0046 0.0054 0.0119
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0054 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1111 0.4591 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0054 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0354 1
Loa Loa (eye worm) nuclear hormone receptor 0.0524 0.2091 0.4556
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1111 0.4591 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1111 0.4591 0.4591
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1111 0.4591 1
Brugia malayi nuclear receptor NHR-88 0.1111 0.4591 1
Brugia malayi nuclear receptor RXR 0.0587 0.2359 0.5139
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1111 0.4591 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1111 0.4591 1
Brugia malayi hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi Nuclear hormone receptor E75 0.0524 0.2091 0.4556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1111 0.4591 1
Echinococcus granulosus FTZ F1 alpha 0.1111 0.4591 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0005 0.0005
Brugia malayi hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi nuclear hormone receptor 0.1111 0.4591 1
Brugia malayi Steroid receptor seven-up type 2 0.1111 0.4591 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1111 0.4591 0.4591
Echinococcus multilocularis thyroid hormone receptor alpha 0.1111 0.4591 1
Schistosoma mansoni coup transcription factor 0.1111 0.4591 0.4591
Onchocerca volvulus 0.1111 0.4591 1
Schistosoma mansoni nuclear receptor nhr-48 0.0524 0.2091 0.2091
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0524 0.2091 0.455
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1111 0.4591 1
Entamoeba histolytica hypothetical protein 0.0035 0.0008 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0054 0.5
Brugia malayi hypothetical protein 0.0035 0.0008 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Loa Loa (eye worm) hypothetical protein 0.1111 0.4591 1
Leishmania major trypanothione reductase 0.0046 0.0054 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1111 0.4591 1
Loa Loa (eye worm) DR-78 0.0524 0.2091 0.4556
Brugia malayi ecdysteroid receptor 0.1111 0.4591 1
Entamoeba histolytica hypothetical protein 0.0035 0.0008 0.5
Plasmodium falciparum glutathione reductase 0.0046 0.0054 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1111 0.4591 1
Brugia malayi hypothetical protein 0.0587 0.2359 0.5139
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1111 0.4591 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1111 0.4591 1
Schistosoma mansoni RAR-like nuclear receptor 0.1111 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Brugia malayi nuclear receptor NHR-88 0.0524 0.2091 0.4556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1111 0.4591 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0304 0.8342
Plasmodium falciparum thioredoxin reductase 0.0046 0.0054 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0065 0.0142
Loa Loa (eye worm) hypothetical protein 0.0587 0.2359 0.5139
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0524 0.2091 0.455
Brugia malayi Thioredoxin reductase 0.0046 0.0054 0.0119
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0587 0.2359 0.5139
Onchocerca volvulus Protein ultraspiracle homolog 0.1111 0.4591 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0304 0.8342
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0524 0.2091 0.2091
Loa Loa (eye worm) steroid hormone receptor 0.1111 0.4591 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Loa Loa (eye worm) hypothetical protein 0.0587 0.2359 0.5139
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0524 0.2091 0.4556
Echinococcus multilocularis nuclear receptor nhr 48 0.0524 0.2091 0.455
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0253 0.0541
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0524 0.2091 0.455
Brugia malayi nuclear hormone receptor 0.0524 0.2091 0.4556
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1111 0.4591 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1111 0.4591 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0524 0.2091 0.455
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0304 0.8342
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0304 0.8342
Schistosoma mansoni nuclear hormone receptor 0.0524 0.2091 0.2091
Brugia malayi nuclear hormone receptor family member nhr-6 0.0524 0.2091 0.4556
Schistosoma mansoni nuclear receptor 0.0524 0.2091 0.2091
Onchocerca volvulus Bile acid receptor homolog 0.1111 0.4591 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0108 0.0235
Loa Loa (eye worm) hypothetical protein 0.0587 0.2359 0.5139
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0524 0.2091 0.455
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1111 0.4591 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0027 0.0047
Schistosoma mansoni retinoic acid receptor RXR 0.1111 0.4591 0.4591
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1111 0.4591 1
Brugia malayi ecdysone receptor 0.0524 0.2091 0.4556
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0587 0.2359 0.2359
Loa Loa (eye worm) hypothetical protein 0.0524 0.2091 0.4556
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0008 0.0006

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.287 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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