Detailed information for compound 940898

Basic information

Technical information
  • TDR Targets ID: 940898
  • Name: [N'-(4-fluorophenyl)-N-hydroxycarbamimidoyl]a zanium chloride
  • MW: 205.617 | Formula: C7H9ClFN3O
  • H donors: 3 H acceptors: 1 LogP: 1.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON/C(=N\c1ccc(cc1)F)/N.Cl
  • InChi: 1S/C7H8FN3O.ClH/c8-5-1-3-6(4-2-5)10-7(9)11-12;/h1-4,12H,(H3,9,10,11);1H
  • InChiKey: LTWWGJIPBNXBIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [N'-(4-fluorophenyl)-N-hydroxy-carbamimidoyl]ammonium chloride
  • [(4-fluorophenyl)imino-(hydroxyamino)methyl]ammonium chloride
  • [N'-(4-fluorophenyl)-N-hydroxy-carbamimidoyl]azanium chloride

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
Brugia malayi Carboxylesterase family protein 0.0045 0.0336 0.0405
Onchocerca volvulus 0.0045 0.0336 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0411 0.0495
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0411 0.008
Echinococcus multilocularis acetylcholinesterase 0.0269 0.8303 0.856
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.4072 0.399
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.1183 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.9699 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0269 0.8303 0.856
Onchocerca volvulus 0.0045 0.0336 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2377 0.2863
Loa Loa (eye worm) hypothetical protein 0.015 0.4072 0.399
Brugia malayi Carboxylesterase family protein 0.0045 0.0336 0.0405
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1183 0.0907
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0336 0.0347
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0336 0.0347
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.0336 0.0347
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.0336 0.0347
Onchocerca volvulus 0.0045 0.0336 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.1183 0.0904
Echinococcus multilocularis acetylcholinesterase 0.0269 0.8303 0.856
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0411 0.0424
Brugia malayi RNA, U transporter 1 0.0082 0.1642 0.1978
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0411 0.0424
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 1 1
Schistosoma mansoni acetylcholinesterase 0.0045 0.0336 0.0347
Schistosoma mansoni hypothetical protein 0.0103 0.2377 0.2451
Toxoplasma gondii hypothetical protein 0.0051 0.0536 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.1183 0.1219
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.0336 0.0347
Brugia malayi hypothetical protein 0.0045 0.0336 0.0405
Schistosoma mansoni gliotactin 0.0045 0.0336 0.0347
Echinococcus granulosus acetylcholinesterase 0.0269 0.8303 0.856
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.0336 0.0347
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.1183 0.1424
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.4057 0.3259
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0144 0.0148
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.4072 0.4904
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0045 0.0336 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0269 0.8303 0.856
Loa Loa (eye worm) hypothetical protein 0.0269 0.8303 0.8508
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.0336 0.0347
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.065 0.0358
Echinococcus multilocularis GPCR, family 2 0.0048 0.0411 0.0424
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.0336 0.0347
Onchocerca volvulus 0.0045 0.0336 0.5
Echinococcus multilocularis snurportin 1 0.0308 0.9699 1
Echinococcus granulosus transcription factor Dp 1 0.004 0.0144 0.0148
Loa Loa (eye worm) hypothetical protein 0.0048 0.0411 0.008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0411 0.0424
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0317 1 1
Schistosoma mansoni hypothetical protein 0.0048 0.0411 0.0424
Loa Loa (eye worm) carboxylesterase 0.0269 0.8303 0.8508
Echinococcus granulosus snurportin 1 0.0308 0.9699 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.0336 0.0347
Schistosoma mansoni hypothetical protein 0.0176 0.4988 0.5143
Echinococcus granulosus carboxylesterase 5A 0.0269 0.8303 0.856
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.4057 0.3871
Echinococcus multilocularis geminin 0.0176 0.4988 0.5143
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0411 0.0424
Mycobacterium ulcerans hypothetical protein 0.0167 0.466 1
Brugia malayi Carboxylesterase family protein 0.0045 0.0336 0.0405
Brugia malayi Carboxylesterase family protein 0.0269 0.8303 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 1 1
Echinococcus multilocularis neuroligin 0.0045 0.0336 0.0347
Brugia malayi Carboxylesterase family protein 0.0045 0.0336 0.0405
Schistosoma mansoni hypothetical protein 0.0048 0.0411 0.0424
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1183 0.0907
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0411 0.0495
Onchocerca volvulus 0.0045 0.0336 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0269 0.8303 0.8508
Echinococcus granulosus acetylcholinesterase 0.0269 0.8303 0.856
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0336 0.0347
Echinococcus granulosus geminin 0.0176 0.4988 0.5143
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.1183 0.1219
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.1183 0.1219
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.4057 0.3871
Echinococcus granulosus GPCR family 2 0.0048 0.0411 0.0424
Schistosoma mansoni hypothetical protein 0.0048 0.0411 0.0424
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.0336 0.0347
Schistosoma mansoni hypothetical protein 0.0048 0.0411 0.0424
Echinococcus granulosus neuroligin 0.0045 0.0336 0.0347
Trichomonas vaginalis spcc417.12 protein, putative 0.0045 0.0336 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0167 0.466 1
Schistosoma mansoni hypothetical protein 0.0176 0.4988 0.5143
Loa Loa (eye worm) hypothetical protein 0.0269 0.8303 0.8508
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1183 0.0907
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.4072 0.4904
Schistosoma mansoni hypothetical protein 0.0308 0.9699 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2377 0.218
Brugia malayi Carboxylesterase family protein 0.0269 0.8303 1

Activities

Activity type Activity value Assay description Source Reference
k cat (functional) = 350 min-1 Kinetic constant for NO formation during transformation of oxyhemoglobin to methemoglobin using NADPH and molecular Oxygen in the presence of (NOS II) ChEMBL. 11831907
Km (functional) = 300 uM Kinetic constant for NO formation during oxidation by NADPH and molecular Oxygen with NOS II ChEMBL. 11831907
NOHA (functional) < 0.2 % Nitric oxide (NO) formation during oxidation of NADPH and O2, catalyzed by NOS III was detected spectrophotometrically using hemoglobin assay ChEMBL. 11831907
NOHA (functional) = 4.5 % Nitric oxide (NO) formation during oxidation of NADPH and O2, catalyzed by NOS I was detected spectrophotometrically using hemoglobin assay ChEMBL. 11831907
NOHA (functional) = 41 % Nitric oxide (NO) formation during oxidation of NADPH and O2, catalyzed by NOS II detected spectrophotometrically using hemoglobin assay. ChEMBL. 11831907

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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