Detailed information for compound 1605313

Basic information

Technical information
  • TDR Targets ID: 1605313
  • Name: (1-prop-2-enylpiperidin-4-yl) 2-cyclopentyl-2 -hydroxypent-3-ynoate
  • MW: 305.412 | Formula: C18H27NO3
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1CCC(CC1)OC(=O)C(C1CCCC1)(C#CC)O
  • InChi: 1S/C18H27NO3/c1-3-11-18(21,15-7-5-6-8-15)17(20)22-16-9-13-19(12-4-2)14-10-16/h4,15-16,21H,2,5-10,12-14H2,1H3
  • InChiKey: KFAKSXHFDZBAHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-allyl-4-piperidyl) 2-cyclopentyl-2-hydroxy-pent-3-ynoate
  • 2-cyclopentyl-2-hydroxypent-3-ynoic acid (1-allyl-4-piperidinyl) ester
  • 2-cyclopentyl-2-hydroxy-pent-3-ynoic acid (1-allyl-4-piperidyl) ester
  • (1-prop-2-enylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-pent-3-ynoate
  • 101932-10-9
  • 1-Allyl-4-piperidyl cyclopentyl(1-propynyl)glycolate
  • Cyclopentaneglycolic acid, alpha-(1-propynyl)-, 1-allyl-4-piperidyl ester
  • NCI60_022760
  • 1-Allyl-4-piperidinyl 2-cyclopentyl-2-hydroxy-3-pentynoate
  • AIDS-143974
  • AIDS143974
  • NSC665777

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
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.1323 0.1323
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0932 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Brugia malayi MH2 domain containing protein 0.0139 0.1323 0.1323
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0932 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0113 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0035 0.018 0.018
Onchocerca volvulus Huntingtin homolog 0.0143 0.1363 0.4476
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0932 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0166 0.0166
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.018 0.018
Brugia malayi hypothetical protein 0.0143 0.1363 0.1363
Echinococcus multilocularis isocitrate dehydrogenase 0.0932 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0932 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0932 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0113 0.1038 0.1038
Brugia malayi Pre-SET motif family protein 0.0035 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0121 0.112 0.112
Entamoeba histolytica tartrate dehydrogenase, putative 0.0113 0.1038 0.5
Schistosoma mansoni unc-13 (munc13) 0.0113 0.1038 0.1038
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0932 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0113 0.1038 0.1038
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0435 0.0435
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0113 0.1038 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.1363 0.1363
Brugia malayi Probable isocitrate dehydrogenase 0.0113 0.1038 0.1038
Brugia malayi Isocitrate dehydrogenase 0.0932 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0932 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0435
Toxoplasma gondii isocitrate dehydrogenase 0.0932 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0234 0.0234
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0113 0.1038 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.2456 0.2456
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0435 0.0435
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0932 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.018 0.018
Schistosoma mansoni hypothetical protein 0.004 0.0234 0.0234
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.1323 0.1323
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0932 1 0.5
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0113 0.1038 0.1038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.018 0.018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0435 0.0435
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0113 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0113 0.1038 0.1038
Brugia malayi Pre-SET motif family protein 0.0243 0.2456 0.2456
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0932 1 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.1363 0.1363
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0932 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0932 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0113 0.1038 0.1038
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.018 0.018
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0113 0.1038 0.1038
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0932 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0113 0.1038 0.1038
Loa Loa (eye worm) isocitrate dehydrogenase 0.0932 1 1
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0113 0.1038 0.5
Schistosoma mansoni isocitrate dehydrogenase 0.0113 0.1038 0.1038
Onchocerca volvulus Huntingtin homolog 0.0143 0.1363 0.4476
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.018 0.018
Trichomonas vaginalis set domain proteins, putative 0.0276 0.2823 1
Onchocerca volvulus 0.0276 0.2823 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0113 0.1038 0.1038
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0932 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0113 0.1038 0.1038
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.018 0.018
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0932 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.305 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) -5.278 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 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 MDA-N Breast 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 SN12C 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 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 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 UO-31 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 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 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 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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