Detailed information for compound 236208

Basic information

Technical information
  • TDR Targets ID: 236208
  • Name: propan-2-yl (2S)-4-cyclohexyl-2-[[(2S)-1-[2-( 3-methoxyphenyl)-2-oxoethyl]piperidine-2-carb onyl]amino]butanoate
  • MW: 486.643 | Formula: C28H42N2O5
  • H donors: 1 H acceptors: 3 LogP: 6.08 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)CN1CCCC[C@H]1C(=O)N[C@H](C(=O)OC(C)C)CCC1CCCCC1
  • InChi: 1S/C28H42N2O5/c1-20(2)35-28(33)24(16-15-21-10-5-4-6-11-21)29-27(32)25-14-7-8-17-30(25)19-26(31)22-12-9-13-23(18-22)34-3/h9,12-13,18,20-21,24-25H,4-8,10-11,14-17,19H2,1-3H3,(H,29,32)/t24-,25-/m0/s1
  • InChiKey: XCKUIZXKDRXJRA-DQEYMECFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • isopropyl (2S)-4-cyclohexyl-2-[[(2S)-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidine-2-carbonyl]amino]butanoate
  • (2S)-4-cyclohexyl-2-[[[(2S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-2-piperidinyl]-oxomethyl]amino]butanoic acid isopropyl ester
  • propan-2-yl (2S)-4-cyclohexyl-2-[[(2S)-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidin-2-yl]carbonylamino]butanoate
  • (2S)-4-cyclohexyl-2-[[(2S)-1-[2-keto-2-(3-methoxyphenyl)ethyl]pipecoloyl]amino]butyric acid isopropyl ester
  • (2S)-4-cyclohexyl-2-[[(2S)-1-[2-keto-2-(3-methoxyphenyl)ethyl]piperidine-2-carbonyl]amino]butyric acid isopropyl ester

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 brucei Aph-1 protein, putative 0.0198 0.1247 0.9136
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Schistosoma mansoni septate junction protein 0.0437 0.3061 0.3015
Brugia malayi Presenilin spe-4 0.0074 0.0314 0.0276
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Schistosoma mansoni peroxidasin 0.1352 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0437 0.3061 0.3015
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Brugia malayi Presenilin-like protein At2g29900 0.0074 0.0314 0.0276
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0437 0.3061 1
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Entamoeba histolytica presenilin 1 peptidase, putative 0.0213 0.1361 1
Brugia malayi gamma-secretase subunit pen-2 0.02 0.1262 0.1229
Echinococcus multilocularis fat cadherin tumor suppressor 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus presenilin 0.0213 0.1361 0.1329
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus protein jagged 2 0.0437 0.3061 0.3035
Giardia lamblia High cysteine protein 0.0437 0.3061 0.5
Echinococcus multilocularis Nicastrin 0.0104 0.0535 0.0499
Onchocerca volvulus 0.1352 1 1
Echinococcus granulosus peroxidasin 0.1352 1 1
Toxoplasma gondii hypothetical protein 0.0074 0.0314 0.0383
Brugia malayi Animal haem peroxidase family protein 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus multilocularis protein jagged 2 0.0437 0.3061 0.3035
Brugia malayi Animal haem peroxidase family protein 0.1352 1 1
Echinococcus multilocularis slit 2 protein 0.0437 0.3061 0.3035
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0213 0.1361 1
Schistosoma mansoni peroxidasin 0.1352 1 1
Trichomonas vaginalis Nicastrin precursor, putative 0.0104 0.0535 0.3841
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus delta-like protein 1 0.0437 0.3061 0.3035
Brugia malayi Animal haem peroxidase family protein 0.1352 1 1
Brugia malayi Delta serrate ligand family protein 0.0437 0.3061 0.3034
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Brugia malayi Animal haem peroxidase family protein 0.1352 1 1
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Schistosoma mansoni laminin gamma-3 chain 0.0437 0.3061 0.3015
Echinococcus multilocularis fibropellin Ia 0.0437 0.3061 0.3035
Echinococcus granulosus gamma secretase subunit aph 1 0.0507 0.3594 0.357
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus multilocularis neurogenic locus notch protein 0.0437 0.3061 0.3035
Schistosoma mansoni slit 0.0437 0.3061 0.3015
Echinococcus multilocularis neurogenic locus notch protein 0.0437 0.3061 0.3035
Brugia malayi gamma-secretase subunit aph-1 0.0507 0.3594 0.357
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0213 0.1361 0.1305
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Brugia malayi Peroxidasin 0.1352 1 1
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Onchocerca volvulus 0.1352 1 1
Echinococcus granulosus protein jagged 1 0.0437 0.3061 0.3035
Echinococcus granulosus Nicastrin 0.0104 0.0535 0.0499
Brugia malayi hypothetical protein 0.0104 0.0535 0.0498
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0038 0.0001
Brugia malayi Calcium binding EGF domain containing protein 0.0437 0.3061 0.3034
Brugia malayi Cadherin domain containing protein 0.0437 0.3061 0.3034
Brugia malayi hypothetical protein 0.0074 0.0314 0.0276
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0213 0.1361 1
Echinococcus granulosus presenilin enhancer 2 0.02 0.1262 0.123
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus protein jagged 1 0.0437 0.3061 0.3035
Brugia malayi GCC2 and GCC3 family protein 0.0437 0.3061 0.3034
Echinococcus granulosus neural cadherin 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Trichomonas vaginalis Nicastrin precursor, putative 0.0104 0.0535 0.3841
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Brugia malayi Muscle positioning protein 4 0.0437 0.3061 0.3034
Schistosoma mansoni cell polarity protein 0.0437 0.3061 0.3015
Brugia malayi Animal haem peroxidase family protein 0.1352 1 1
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0213 0.1361 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0507 0.3594 0.3594
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0213 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Loa Loa (eye worm) Notch2 0.0437 0.3061 0.3061
Echinococcus multilocularis protein jagged 1 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Trypanosoma cruzi Aph-1 protein, putative 0.0198 0.1247 0.9136
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Loa Loa (eye worm) notch protein 0.0437 0.3061 0.3061
Brugia malayi Calcium binding EGF domain containing protein 0.0437 0.3061 0.3034
Brugia malayi hypothetical protein 0.0074 0.0314 0.0276
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Onchocerca volvulus Peroxidase homolog 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0535 0.0535
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Onchocerca volvulus Dual oxidase homolog 0.1352 1 1
Onchocerca volvulus Peroxidase homolog 0.1352 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.0198 0.1247 0.9136
Loa Loa (eye worm) presenilin spe-4 0.0074 0.0314 0.0314
Brugia malayi Presenilin spe-4 0.0074 0.0314 0.0276
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Onchocerca volvulus Peroxidasin homolog 0.1352 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0437 0.3061 0.3035
Echinococcus granulosus slit 2 protein 0.0437 0.3061 0.3035
Echinococcus multilocularis presenilin enhancer 2 0.02 0.1262 0.123
Echinococcus granulosus protein jagged 2 0.0437 0.3061 0.3035
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Echinococcus multilocularis protein jagged 1 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus multilocularis notch 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Echinococcus multilocularis Nicastrin 0.0104 0.0535 0.0499
Schistosoma mansoni gamma-secretase subunit aph-1 0.0507 0.3594 0.3552
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0437 0.3061 0.3035
Loa Loa (eye worm) animal heme peroxidase 0.1352 1 1
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Onchocerca volvulus Peroxidasin homolog 0.1352 1 1
Brugia malayi Cadherin domain containing protein 0.0437 0.3061 0.3034
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.006 0.0204 0.1259
Brugia malayi hypothetical protein 0.0104 0.0535 0.0498
Echinococcus multilocularis neurogenic locus protein delta 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0038 0.0038
Echinococcus multilocularis neurogenic locus notch protein 4 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0437 0.3061 0.3034
Brugia malayi Presenilin spe-4 0.0074 0.0314 0.0276
Brugia malayi hypothetical protein 0.0074 0.0314 0.0276
Loa Loa (eye worm) animal heme peroxidase 0.1352 1 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.0507 0.3594 0.357
Echinococcus multilocularis peroxidasin 0.1352 1 1
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Brugia malayi Calcium binding EGF domain containing protein 0.0437 0.3061 0.3034
Onchocerca volvulus Chorion peroxidase homolog 0.1352 1 1
Schistosoma mansoni notch 0.0437 0.3061 0.3015
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus multilocularis neural cadherin 0.0437 0.3061 0.3035
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus multilocularis neurogenic locus protein delta 0.0437 0.3061 0.3035
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0213 0.1361 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0213 0.1361 1
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0213 0.1361 1
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.02 0.1262 0.1262
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0038 0.0001
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Brugia malayi notch-like transmembrane receptor 0.0437 0.3061 0.3034
Echinococcus granulosus neurogenic locus notch protein 0.0437 0.3061 0.3035
Brugia malayi Blistered cuticle protein 3 0.1352 1 1
Onchocerca volvulus 0.1352 1 1
Schistosoma mansoni hypothetical protein 0.0104 0.0535 0.0473
Schistosoma mansoni hypothetical protein 0.0437 0.3061 0.3015
Loa Loa (eye worm) hypothetical protein 0.1352 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1352 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1352 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0437 0.3061 0.3035
Echinococcus granulosus notch 0.0437 0.3061 0.3035
Echinococcus multilocularis presenilin 0.0213 0.1361 0.1329
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Brugia malayi EGF-like domain containing protein 0.0437 0.3061 0.3034
Loa Loa (eye worm) hypothetical protein 0.0437 0.3061 0.3061
Echinococcus granulosus fibropellin Ia 0.0437 0.3061 0.3035
Brugia malayi Presenilin family protein 0.0213 0.1361 0.1328

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM The compound was tested for the inhibitory activity of FK506 binding protein ChEMBL. 1447733

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

1 literature reference was collected for this gene.

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