Detailed information for compound 761923

Basic information

Technical information
  • TDR Targets ID: 761923
  • Name: [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4 -fluorophenyl)methanone
  • MW: 332.8 | Formula: C18H18ClFN2O
  • H donors: 0 H acceptors: 1 LogP: 3.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1Cl
  • InChi: 1S/C18H18ClFN2O/c19-17-4-2-1-3-15(17)13-21-9-11-22(12-10-21)18(23)14-5-7-16(20)8-6-14/h1-8H,9-13H2
  • InChiKey: WNLDZKBSWBTHLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(4-fluorophenyl)methanone
  • [4-(2-chlorobenzyl)piperazin-1-yl]-(4-fluorophenyl)methanone
  • CBMicro_019459
  • Oprea1_563045
  • BIM-0019233.P001

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 bromodomain containing protein 0.0065 0.0318 0.0318
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.048 0.3316 1
Schistosoma mansoni transcription factor LCR-F1 0.0227 0.1487 0.1487
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0222 0.1448 0.8892
Brugia malayi hypothetical protein 0.0227 0.1487 1
Echinococcus multilocularis tumor protein p63 0.1084 0.7677 0.7674
Mycobacterium ulcerans bacterioferritin BfrB 0.0036 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0132 0.0399
Loa Loa (eye worm) hypothetical protein 0.048 0.3316 1
Echinococcus multilocularis microtubule associated protein 2 0.1406 1 1
Schistosoma mansoni apoferritin-2 0.0036 0.0105 0.0105
Onchocerca volvulus 0.0159 0.0992 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0089 0.8302
Schistosoma mansoni ferritin light chain 0.0036 0.0105 0.0105
Echinococcus multilocularis ferritin 0.0036 0.0105 0.0091
Echinococcus granulosus ferritin 0.0036 0.0105 0.0091
Toxoplasma gondii thioredoxin reductase 0.0097 0.0548 0.1422
Echinococcus granulosus tumor protein p63 0.1084 0.7677 0.7674
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.0548 0.0535
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0222 0.1448 0.8892
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0089 0.8302
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0.0089 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0089 0.8302
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.0548 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.0548 0.3315
Toxoplasma gondii hypothetical protein 0.048 0.3316 1
Trichomonas vaginalis ferritin, putative 0.0036 0.0105 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.0548 0.0535
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0222 0.1448 0.8892
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0247 0.1627 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0089 0.0075
Entamoeba histolytica hypothetical protein 0.0227 0.1487 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0089 0.0075
Leishmania major trypanothione reductase 0.0097 0.0548 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0089 0.5
Schistosoma mansoni ferritin light chain 0.0036 0.0105 0.0105
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0227 0.1487 0.1475
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0034 0.0089 0.1421
Loa Loa (eye worm) hypothetical protein 0.0073 0.0374 0.1128
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.0548 0.1653
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0034 0.0089 0.0471
Loa Loa (eye worm) hypothetical protein 0.0042 0.015 0.0453
Schistosoma mansoni ferritin 0.0036 0.0105 0.0105
Brugia malayi Bromodomain containing protein 0.0078 0.0406 0.2664
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0222 0.1448 0.8892
Loa Loa (eye worm) hypothetical protein 0.048 0.3316 1
Entamoeba histolytica hypothetical protein 0.0227 0.1487 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0292 0.0278
Loa Loa (eye worm) hypothetical protein 0.0023 0.0013 0.004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0292 0.0278
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0025 0.0077
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0036 0.0105 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0247 0.1627 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0114 0.01
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.0548 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0025 0.0077
Echinococcus multilocularis expressed protein 0.0036 0.0105 0.0091
Schistosoma mansoni ferritin 0.0036 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.048 0.3316 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0034 0.0089 0.1421
Plasmodium falciparum glutathione reductase 0.0097 0.0548 1
Schistosoma mansoni microtubule-associated protein tau 0.1406 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0114 0.01
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0227 0.1487 0.1475
Mycobacterium tuberculosis Probable dehydrogenase 0.0222 0.1448 0.8892
Entamoeba histolytica hypothetical protein 0.0227 0.1487 1
Brugia malayi Thioredoxin reductase 0.0097 0.0548 0.3631
Treponema pallidum bacterioferrin (TpF1) 0.0036 0.0105 1
Brugia malayi glutathione reductase 0.0097 0.0548 0.3631
Loa Loa (eye worm) hypothetical protein 0.0044 0.0164 0.0496
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0089 0.0516
Schistosoma mansoni ferritin 0.0036 0.0105 0.0105
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0036 0.0105 0.0567
Plasmodium vivax glutathione reductase, putative 0.0097 0.0548 1
Entamoeba histolytica hypothetical protein 0.0227 0.1487 1
Plasmodium falciparum thioredoxin reductase 0.0097 0.0548 1
Schistosoma mansoni apoferritin-2 0.0036 0.0105 0.0105
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0247 0.1627 1
Mycobacterium tuberculosis Probable reductase 0.0222 0.1448 0.8892
Echinococcus granulosus expressed protein 0.0036 0.0105 0.0091
Trypanosoma brucei trypanothione reductase 0.0097 0.0548 1
Brugia malayi Bromodomain containing protein 0.004 0.0132 0.0804
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0036 0.0105 0.0567
Loa Loa (eye worm) hypothetical protein 0.0023 0.0013 0.004
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0089 0.1421
Schistosoma mansoni cellular tumor antigen P53 0.0159 0.0992 0.0992
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0089 0.0089
Brugia malayi PHD-finger family protein 0.0026 0.0032 0.0126
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0247 0.1627 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0089 0.1421
Loa Loa (eye worm) glutathione reductase 0.0097 0.0548 0.1653
Mycobacterium ulcerans bacterioferritin BfrA 0.0036 0.0105 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0036 0.0105 0.0567
Loa Loa (eye worm) hypothetical protein 0.0159 0.0992 0.2992
Schistosoma mansoni ferritin 0.0036 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0023 0.0013 0.004
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0227 0.1487 0.1487
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0222 0.1448 0.8892

Activities

No activities found for this compound.

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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