Detailed information for compound 428236

Basic information

Technical information
  • TDR Targets ID: 428236
  • Name: N-[1-(2-fluoroethyl)piperidin-4-yl]-4-iodoben zamide
  • MW: 376.208 | Formula: C14H18FIN2O
  • H donors: 1 H acceptors: 1 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCN1CCC(CC1)NC(=O)c1ccc(cc1)I
  • InChi: 1S/C14H18FIN2O/c15-7-10-18-8-5-13(6-9-18)17-14(19)11-1-3-12(16)4-2-11/h1-4,13H,5-10H2,(H,17,19)
  • InChiKey: SWVXOPWSGGQROR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(2-fluoroethyl)-4-piperidyl]-4-iodo-benzamide
  • N-[1-(2-fluoroethyl)-4-piperidinyl]-4-iodobenzamide
  • N-[1-(2-fluoroethyl)piperidin-4-yl]-4-iodo-benzamide

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) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0065 0.0104
Echinococcus granulosus microtubule associated protein 2 0.0783 0.2732 0.3362
Brugia malayi MIR domain containing protein 0.0187 0.0573 0.055
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.1006 0.3539 0.5
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0187 0.0573 0.055
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0046 0.0062 0.0099
Schistosoma mansoni inositol 145-trisphosphate receptor 0.034 0.1127 0.1106
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.011 1
Loa Loa (eye worm) ryanodine receptor 0.1042 0.3671 0.5847
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0046 0.0062 0.0038
Giardia lamblia Transglutaminase/protease, putative 0.0035 0.0024 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0065 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0065 0.0051
Echinococcus multilocularis microtubule associated protein 2 0.0783 0.2732 0.3362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0065 0.0051
Schistosoma mansoni microtubule-associated protein tau 0.0783 0.2732 0.2714
Echinococcus multilocularis expressed protein 0.0423 0.143 0.1746
Mycobacterium leprae Conserved hypothetical protein 0.0035 0.0024 0.5
Schistosoma mansoni ryanodine receptor related 0.2789 1 1
Onchocerca volvulus 0.0187 0.0573 1
Loa Loa (eye worm) ryanodine receptor 0.0658 0.2281 0.3634
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.011 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0065 0.0051
Echinococcus multilocularis ryanodine receptor 44f 0.1761 0.6278 0.7765
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.011 0.5
Echinococcus granulosus ryanodine receptor 44f 0.1761 0.6278 0.7765
Schistosoma mansoni hypothetical protein 0.0688 0.2388 0.237
Echinococcus multilocularis ryanodine receptor 44f 0.2258 0.8077 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.011 0.0107
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.011 1
Echinococcus granulosus ryanodine receptor 44f 0.2258 0.8077 1
Loa Loa (eye worm) MIR domain-containing protein 0.0187 0.0573 0.0913
Trichomonas vaginalis mannosyltransferase 1, putative 0.0187 0.0573 1
Leishmania major hypothetical protein, conserved 0.0684 0.2373 1
Echinococcus multilocularis stromal cell derived factor 2 0.0187 0.0573 0.0682
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0065 0.0041
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.011 0.0107
Echinococcus granulosus stromal cell derived factor 2 0.0187 0.0573 0.0682
Mycobacterium leprae Conserved hypothetical protein 0.0035 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.034 0.1127 0.1796
Loa Loa (eye worm) hypothetical protein 0.0044 0.0055 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0065 0.0041
Loa Loa (eye worm) hypothetical protein 0.0509 0.174 0.2771
Echinococcus multilocularis Tolloid protein 1 0.0046 0.0062 0.0047
Brugia malayi cation channel family protein 0.1192 0.4216 0.4202
Giardia lamblia Hypothetical protein 0.0035 0.0024 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0065 0.0041
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.1006 0.3539 0.5
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0853 0.2986 0.2969
Entamoeba histolytica MIR domain protein 0.0187 0.0573 0.5
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0322 0.1063 0.1041
Echinococcus granulosus Tolloid protein 1 0.0046 0.0062 0.0047
Echinococcus granulosus expressed protein 0.0423 0.143 0.1746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0065 0.0041
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.011 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.011 0.0086
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.011 0.0086
Loa Loa (eye worm) hypothetical protein 0.0531 0.1819 0.2898
Loa Loa (eye worm) hypothetical protein 0.1761 0.6278 1

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (ADMET) = 0.03 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.03 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.04 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.04 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.06 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.06 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.09 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.09 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.09 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.09 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.1 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.1 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.12 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.12 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.14 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.14 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 0.22 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.22 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.29 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.29 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.33 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.33 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.34 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.34 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.48 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.48 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.93 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 0.93 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 1 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 1 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 1.46 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 1.46 % ID/g Biodistribution in blood of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 1.61 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 1.61 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 3 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 3 % ID/g Biodistribution in heart of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 3.1 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 3.1 % ID/g Biodistribution in brain of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 3.3 % ID/g Biodistribution in tumor of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 3.4 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 3.4 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 3.8 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 3.8 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 5.5 % ID/g Biodistribution in melanoma of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 6.4 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 6.4 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 7.3 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 7.3 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 8.7 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 8.7 % ID/g Biodistribution in kidney of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 9.7 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 9.7 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 10.1 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 10.1 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 10.5 % ID/g Biodistribution in tumor of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 10.8 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 10.8 % ID/g Biodistribution in lung of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 10.9 % ID/g Biodistribution in melanoma of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 12.5 % ID/g Biodistribution in melanoma of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 6 hrs ChEMBL. 17602544
Drug uptake (ADMET) = 19.2 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 19.2 % ID/g Biodistribution in liver of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr ChEMBL. 17602544
Drug uptake (ADMET) = 24.6 % ID/g Biodistribution in eye of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 24 hrs in presence of haloperidol ChEMBL. 17602544
Drug uptake (ADMET) = 34.8 % ID/g Biodistribution in eye of B16F0 tumor bearing C57BL/6J mouse at 0.37-0.74 MBq, iv after 1 hr in presence of haloperidol ChEMBL. 17602544

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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