Detailed information for compound 258934

Basic information

Technical information
  • TDR Targets ID: 258934
  • Name: 1-(4-butoxyphenyl)-4-methylimidazole
  • MW: 230.306 | Formula: C14H18N2O
  • H donors: 0 H acceptors: 1 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)n1cnc(c1)C
  • InChi: 1S/C14H18N2O/c1-3-4-9-17-14-7-5-13(6-8-14)16-10-12(2)15-11-16/h5-8,10-11H,3-4,9H2,1-2H3
  • InChiKey: ITXWTUUAROJZDN-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-butoxyphenyl)-4-methyl-imidazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0289 0.1413 0.1413
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1711 1 1
Echinococcus granulosus neuroligin 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Brugia malayi Carboxylesterase family protein 0.0289 0.1413 0.1413
Echinococcus granulosus acetylcholinesterase 0.1711 1 1
Brugia malayi Carboxylesterase family protein 0.0289 0.1413 0.1413
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0289 0.1413 0.1413
Onchocerca volvulus 0.0289 0.1413 1
Onchocerca volvulus 0.0289 0.1413 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Echinococcus multilocularis neuroligin 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Brugia malayi Carboxylesterase family protein 0.1711 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0289 0.1413 0.5
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Echinococcus granulosus para nitrobenzyl esterase 0.0289 0.1413 0.1413
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0075 0.0075
Echinococcus multilocularis BC026374 protein (S09 family) 0.0289 0.1413 0.1413
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0289 0.1413 0.1413
Schistosoma mansoni amine GPCR 0.0566 0.3083 0.3083
Onchocerca volvulus 0.0289 0.1413 1
Schistosoma mansoni acetylcholinesterase 0.0289 0.1413 0.1413
Echinococcus multilocularis acetylcholinesterase 0.1711 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0289 0.1413 0.1413
Mycobacterium tuberculosis Carboxylesterase LipT 0.0289 0.1413 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0289 0.1413 0.1413
Loa Loa (eye worm) carboxylesterase 0.0289 0.1413 0.1413
Trichomonas vaginalis spcc417.12 protein, putative 0.0289 0.1413 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0289 0.1413 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.1711 1 1
Brugia malayi Carboxylesterase family protein 0.0289 0.1413 0.1413
Schistosoma mansoni gliotactin 0.0289 0.1413 0.1413
Schistosoma mansoni neuroligin 3 (S09 family) 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.1711 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0289 0.1413 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0289 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Brugia malayi Carboxylesterase family protein 0.0289 0.1413 0.1413
Loa Loa (eye worm) carboxylesterase 0.1711 1 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.1413 0.1413
Loa Loa (eye worm) carboxylesterase 0.0289 0.1413 0.1413
Mycobacterium ulcerans carboxylesterase, LipT 0.0289 0.1413 0.5
Echinococcus granulosus acetylcholinesterase 0.1711 1 1
Echinococcus multilocularis acetylcholinesterase 0.1711 1 1
Onchocerca volvulus 0.0289 0.1413 1
Echinococcus granulosus carboxylesterase 5A 0.1711 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1711 1 1
Brugia malayi hypothetical protein 0.0289 0.1413 0.1413
Brugia malayi Cytochrome P450 family protein 0.0067 0.0075 0.0075
Onchocerca volvulus 0.0289 0.1413 1
Echinococcus multilocularis carboxylesterase 5A 0.1711 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0289 0.1413 0.1413

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 143 nM Inhibitory activity against 20-HETE production from arachidonic acid using human renal microsome 20-HETE synthase. ChEMBL. 14640550
IC50 (binding) = 360 nM Concentration required to inhibit cytochrome P450 19A1. ChEMBL. 14640550
IC50 (binding) = 360 nM Concentration required to inhibit cytochrome P450 19A1. ChEMBL. 14640550
IC50 (ADMET) = 386 nM Concentration required to inhibit cytochrome P450 1A2. ChEMBL. 14640550
IC50 (ADMET) = 386 nM Concentration required to inhibit cytochrome P450 1A2. ChEMBL. 14640550
IC50 (ADMET) = 6880 nM Concentration required to inhibit cytochrome P450 2C9. ChEMBL. 14640550
IC50 (ADMET) = 6880 nM Concentration required to inhibit cytochrome P450 2C9. ChEMBL. 14640550
IC50 (ADMET) = 7810 nM Concentration required to inhibit cytochrome P450 2D6. ChEMBL. 14640550
IC50 (ADMET) = 7810 nM Concentration required to inhibit cytochrome P450 2D6. ChEMBL. 14640550
IC50 (ADMET) = 9170 nM Concentration required to inhibit cytochrome P450 3A4. ChEMBL. 14640550
IC50 (ADMET) = 9170 nM Concentration required to inhibit cytochrome P450 3A4. ChEMBL. 14640550

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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