TDR Targets

Basic information

Technical information

TDR Targets ID: 233278
Name: bis(4-chlorophenyl)-pyridin-2-ylmethanol
MW: 330.208 | Formula: C18H13Cl2NO
H donors: 1 H acceptors: 2 LogP: 4.44 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C(c1ccccn1)(c1ccc(cc1)Cl)O
InChi: 1S/C18H13Cl2NO/c19-15-8-4-13(5-9-15)18(22,17-3-1-2-12-21-17)14-6-10-16(20)11-7-14/h1-12,22H
InChiKey: ZFWSKDPSRKGSHL-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

bis(4-chlorophenyl)-(2-pyridyl)methanol
bis(4-chlorophenyl)-pyridin-2-yl-methanol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Cytochrome P450 19A1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	Cytochrome P450 19A1	508 aa	448 aa	20.8 %
Loa Loa (eye worm)	cytochrome P450 family protein	Cytochrome P450 19A1	508 aa	450 aa	21.1 %
Drosophila melanogaster	Cytochrome P450-4d1	Cytochrome P450 19A1	508 aa	464 aa	24.6 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 19A1	508 aa	465 aa	21.5 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 19A1	508 aa	473 aa	18.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0012	0.2132	0.2132
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0012	0.2132	0.2132
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Onchocerca volvulus	Peroxidasin homolog	0.0026	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0026	1	1
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0012	0.2132	0.2132
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0026	1	1
Echinococcus multilocularis	peroxidasin	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.2132	0.2132
Brugia malayi	excitatory GABA receptor EXP-1A	0.0012	0.2132	0.2132
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Echinococcus multilocularis	nAChR subunit	0.0012	0.2132	0.2132
Onchocerca volvulus	Peroxidase homolog	0.0026	1	1
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0012	0.2132	0.2132
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0012	0.2132	0.2132
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.2132	0.2132
Echinococcus granulosus	peroxidasin	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Brugia malayi	Cation transporter family protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Onchocerca volvulus		0.0012	0.2132	0.2132
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0012	0.2132	0.2132
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0012	0.2132	0.2132
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.2132	0.2132
Onchocerca volvulus	Peroxidase homolog	0.0026	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0026	1	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0012	0.2132	0.2132
Brugia malayi	Animal haem peroxidase family protein	0.0026	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0026	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0026	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0026	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.2132	0.2132
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.2132	0.2132
Brugia malayi	Animal haem peroxidase family protein	0.0026	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.2132	0.2132
Brugia malayi	Animal haem peroxidase family protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0012	0.2132	0.2132
Brugia malayi	Blistered cuticle protein 3	0.0026	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.2132	0.2132
Echinococcus granulosus	nAChR subunit	0.0012	0.2132	0.2132
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0012	0.2132	0.2132
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0012	0.2132	0.2132
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0012	0.2132	0.2132
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0012	0.2132	0.2132
Onchocerca volvulus	Putative nachr subunit	0.0012	0.2132	0.2132
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.2132	0.2132
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0012	0.2132	0.2132
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0012	0.2132	0.2132
Toxoplasma gondii	EGF family domain-containing protein	0.0008	0	0.5
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Onchocerca volvulus	Peroxidasin homolog	0.0026	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.2132	0.2132
Brugia malayi	Peroxidasin	0.0026	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0012	0.2132	0.2132
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Schistosoma mansoni	nAChR subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0012	0.2132	0.2132
Brugia malayi	Cation transporter family protein	0.0012	0.2132	0.2132
Giardia lamblia	High cysteine protein	0.0008	0	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Schistosoma mansoni	peroxidasin	0.0026	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0026	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0026	1	1
Brugia malayi	Cation transporter family protein	0.0012	0.2132	0.2132
Onchocerca volvulus		0.0012	0.2132	0.2132
Schistosoma mansoni	peroxidasin	0.0026	1	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.2132	0.2132
Loa Loa (eye worm)	animal heme peroxidase	0.0026	1	1
Onchocerca volvulus		0.0012	0.2132	0.2132
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	LGC-31 protein	0.0012	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0026	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 5 uM	In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome	ChEMBL.	2296032
EC50 (binding)	> 5 uM	In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome	ChEMBL.	2296032

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

PubChem: 18471517

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 233278