Detailed information for compound 1677276

Basic information

Technical information
  • TDR Targets ID: 1677276
  • Name: N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,4 -di(phenyl)piperidine-1-carboxamide
  • MW: 476.994 | Formula: C28H29ClN2O3
  • H donors: 0 H acceptors: 2 LogP: 6.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)OC(C(=O)N(C(=O)N1CCC(CC1)c1ccccc1)c1ccccc1)(C)C
  • InChi: 1S/C28H29ClN2O3/c1-28(2,34-25-15-13-23(29)14-16-25)26(32)31(24-11-7-4-8-12-24)27(33)30-19-17-22(18-20-30)21-9-5-3-6-10-21/h3-16,22H,17-20H2,1-2H3
  • InChiKey: KFGOANCXXKAFRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenoxy)-2-methyl-propanoyl]-N,4-di(phenyl)piperidine-1-carboxamide
  • N-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-N,4-di(phenyl)-1-piperidinecarboxamide
  • NCI60_032382
  • NCIMech_000783
  • 2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)propanamide
  • AIDS-151026
  • AIDS151026
  • NSC690116

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
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0229 0.7055 0.8958
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0601 0.1122
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0374 0.1279
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.082 0.1531
Loa Loa (eye worm) hypothetical protein 0.0021 0.0374 0.0698
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.082 0.2803
Trypanosoma brucei trypanothione reductase 0.01 0.2926 1
Loa Loa (eye worm) glutathione reductase 0.01 0.2926 0.546
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.082 0.2803
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0416 0.142
Toxoplasma gondii thioredoxin reductase 0.01 0.2926 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0035 0.082 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0601 0.733
Loa Loa (eye worm) hypothetical protein 0.0028 0.0601 0.1122
Echinococcus multilocularis thioredoxin glutathione reductase 0.0101 0.2945 0.5496
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0416 0.142
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0035 0.082 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.536 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0416 0.5067
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0416 0.5067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0338 0.0429
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0416 0.6913
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.082 0.2803
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0601 0.2055
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0601 0.2055
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0374 0.1279
Trichomonas vaginalis glutathione reductase, putative 0.0035 0.082 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.082 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0229 0.7055 0.8958
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0601 0.1122
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0416 0.5067
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Echinococcus multilocularis muscleblind protein 0.0176 0.536 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0374 0.4563
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0416 0.142
Brugia malayi Thioredoxin reductase 0.01 0.2926 0.546
Loa Loa (eye worm) hypothetical protein 0.0028 0.0601 0.1122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0601 0.1122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0338 0.0429
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0374 0.0475
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0601 0.733
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.082 0.2803
Plasmodium falciparum thioredoxin reductase 0.0035 0.082 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.082 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.082 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0524 0.0978
Plasmodium falciparum glutathione reductase 0.01 0.2926 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0416 0.5067
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.082 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0035 0.082 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0229 0.7055 0.8958
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0416 0.142
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0338 0.0429
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.082 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.082 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0229 0.7055 0.8958
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0601 0.733
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0601 0.733
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0254 0.7875 1
Plasmodium falciparum thioredoxin reductase 0.01 0.2926 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0374 0.4563
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0601 0.733
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.01 0.2926 0.3716
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.082 0.2803
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.082 0.1531
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0601 1
Trypanosoma cruzi trypanothione reductase, putative 0.01 0.2926 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.082 0.2803
Mycobacterium tuberculosis Probable oxidoreductase 0.0254 0.7875 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0601 0.2055
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0416 0.142
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0524 0.0978
Brugia malayi glutathione reductase 0.01 0.2926 0.546
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0416 0.5067
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.082 0.1531
Plasmodium vivax thioredoxin reductase, putative 0.01 0.2926 1
Plasmodium vivax glutathione reductase, putative 0.01 0.2926 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0035 0.082 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0416 0.0776
Brugia malayi Muscleblind-like protein 0.0176 0.536 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0374 0.0698
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0035 0.082 0.1042
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0601 0.0763
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0601 0.0763
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Loa Loa (eye worm) hypothetical protein 0.0176 0.536 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0229 0.7055 0.8958
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0416 0.0528
Loa Loa (eye worm) thioredoxin reductase 0.01 0.2926 0.546
Loa Loa (eye worm) hypothetical protein 0.0021 0.0374 0.0698
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.082 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0254 0.7875 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0601 0.0763
Schistosoma mansoni ap endonuclease 0.0022 0.0416 0.0416
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0254 0.7875 1
Toxoplasma gondii exonuclease III APE 0.0022 0.0416 0.142
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.082 0.2803
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0601 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0374 0.0698
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0601 0.733
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.082 0.082
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.082 0.2803
Leishmania major trypanothione reductase 0.01 0.2926 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0601 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0416 0.0776
Mycobacterium tuberculosis Probable reductase 0.0229 0.7055 0.8958
Plasmodium falciparum glutathione reductase 0.0035 0.082 0.2803
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0416 0.142
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0416 0.0776
Echinococcus granulosus muscleblind protein 0.0176 0.536 1
Onchocerca volvulus 0.0028 0.0601 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Loa Loa (eye worm) hypothetical protein 0.0021 0.0374 0.0698
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.082 0.2803
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.082 0.2803
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0601 0.0763
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.082 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0416 0.5067
Treponema pallidum NADH oxidase 0.0035 0.082 1
Echinococcus multilocularis muscleblind protein 1 0.0176 0.536 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0035 0.082 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0229 0.7055 0.8958
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0338 0.0429
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0601 0.733
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.082 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0101 0.2945 0.5496
Loa Loa (eye worm) hypothetical protein 0.0028 0.0601 0.1122
Schistosoma mansoni ap endonuclease 0.0022 0.0416 0.0416
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0416 0.0776
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0601 0.733

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.796 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) -5.306 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) -5.056 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) -4.65 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.562 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.419 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.392 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 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 DU-145 Prostate 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

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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