TDR Targets

Basic information

Technical information

TDR Targets ID: 266152
Name: 3-chloro-4-hydroxy-N-[(E)-[5-(hydroxymethyl)n aphthalen-1-yl]methylideneamino]benzamide
MW: 354.787 | Formula: C19H15ClN2O3
H donors: 3 H acceptors: 3 LogP: 3.47 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCc1cccc2c1cccc2/C=N/NC(=O)c1ccc(c(c1)Cl)O
InChi: 1S/C19H15ClN2O3/c20-17-9-12(7-8-18(17)24)19(25)22-21-10-13-3-1-6-16-14(11-23)4-2-5-15(13)16/h1-10,23-24H,11H2,(H,22,25)/b21-10+
InChiKey: PFDDUSSVSBTSJF-UFFVCSGVSA-N

Network

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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

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Clustering layers

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Synonyms

3-chloro-4-hydroxy-N-[(E)-[5-(hydroxymethyl)-1-naphthyl]methyleneamino]benzamide
3-chloro-4-hydroxy-N-[(E)-(5-methylol-1-naphthyl)methyleneamino]benzamide
3-chloro-4-hydroxy-N-[[5-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide
3-chloro-4-hydroxy-N-[[5-(hydroxymethyl)-1-naphthyl]methyleneamino]benzamide
3-chloro-4-hydroxy-N-[(5-methylol-1-naphthyl)methyleneamino]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon receptor	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
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon receptor	477 aa	457 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.04	0.1543	0.1531
Mycobacterium ulcerans	carboxylesterase, LipT	0.04	0.1543	0.5
Loa Loa (eye worm)	doublecortin family protein	0.0339	0.1283	0.1283
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0926	0.3805	0.3805
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2366	1	1
Echinococcus granulosus	neuroligin	0.04	0.1543	0.1531
Loa Loa (eye worm)	acetylcholinesterase 1	0.2366	1	1
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Brugia malayi	Carboxylesterase family protein	0.04	0.1543	0.1543
Trichomonas vaginalis	spcc417.12 protein, putative	0.04	0.1543	0.5
Brugia malayi	hypothetical protein	0.04	0.1543	0.1543
Echinococcus granulosus	RUN	0.0339	0.1283	0.1271
Echinococcus multilocularis	Polycystic kidney disease protein	0.0339	0.1283	0.1271
Echinococcus multilocularis	roundabout 2	0.0078	0.0158	0.0145
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.04	0.1543	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.04	0.1543	0.1543
Schistosoma mansoni	lipoxygenase	0.142	0.5929	0.5929
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.2031	0.8557	0.8555
Onchocerca volvulus		0.04	0.1543	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Echinococcus granulosus	para nitrobenzyl esterase	0.04	0.1543	0.1531
Echinococcus granulosus	roundabout 2	0.0078	0.0158	0.0145
Echinococcus granulosus	lipoxygenase domain containing protein	0.0339	0.1283	0.1271
Schistosoma mansoni	rab6-interacting	0.0339	0.1283	0.1283
Loa Loa (eye worm)	carboxylesterase	0.2366	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.2366	1	1
Plasmodium falciparum	LCCL domain-containing protein	0.0339	0.1283	0.5
Echinococcus granulosus	Polycystic kidney disease protein	0.0339	0.1283	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Echinococcus granulosus	neuroglian	0.0059	0.0077	0.0064
Onchocerca volvulus		0.04	0.1543	0.1122
Onchocerca volvulus		0.04	0.1543	0.1122
Brugia malayi	Carboxylesterase family protein	0.04	0.1543	0.1543
Echinococcus granulosus	BC026374 protein S09 family	0.04	0.1543	0.1531
Echinococcus multilocularis	acetylcholinesterase	0.2366	1	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0044	0.0014	0.0014
Echinococcus multilocularis	para nitrobenzyl esterase	0.04	0.1543	0.1531
Echinococcus granulosus	acetylcholinesterase	0.2366	1	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0339	0.1283	0.5
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Schistosoma mansoni	BC026374 protein (S09 family)	0.04	0.1543	0.1543
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.04	0.1543	0.1543
Echinococcus multilocularis	BC026374 protein (S09 family)	0.04	0.1543	0.1531
Loa Loa (eye worm)	hypothetical protein	0.2366	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.04	0.1543	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0095	0.0095
Schistosoma mansoni	loxhd1	0.0339	0.1283	0.1283
Schistosoma mansoni	lipoxygenase	0.2031	0.8557	0.8557
Schistosoma mansoni	neuroligin 3 (S09 family)	0.04	0.1543	0.1543
Echinococcus granulosus	acetylcholinesterase	0.2366	1	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.2031	0.8557	0.8555
Brugia malayi	Fibronectin type III domain containing protein	0.0044	0.0014	0.0014
Brugia malayi	Carboxylesterase family protein	0.04	0.1543	0.1543
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0044	0.0014	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0082	0.0082
Brugia malayi	hypothetical protein	0.0339	0.1283	0.1283
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Brugia malayi	hypothetical protein	0.0339	0.1283	0.1283
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0082	0.0082
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0926	0.3805	0.3805
Schistosoma mansoni	polycystin 1-related	0.0339	0.1283	0.1283
Onchocerca volvulus		0.0859	0.3516	0.965
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Loa Loa (eye worm)	carboxylesterase	0.04	0.1543	0.1543
Brugia malayi	Carboxylesterase family protein	0.04	0.1543	0.1543
Schistosoma mansoni	vesicular amine transporter	0.0044	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0063	0.0095	0.0081
Echinococcus multilocularis	RUN	0.0339	0.1283	0.1271
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Echinococcus multilocularis	neuroglian	0.0059	0.0077	0.0064
Echinococcus granulosus	lipoxygenase domain containing protein	0.0339	0.1283	0.1271
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.04	0.1543	0.1543
Mycobacterium tuberculosis	Carboxylesterase LipT	0.04	0.1543	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Loa Loa (eye worm)	carboxylesterase	0.04	0.1543	0.1543
Schistosoma mansoni	gliotactin	0.04	0.1543	0.1543
Schistosoma mansoni	acetylcholinesterase	0.04	0.1543	0.1543
Onchocerca volvulus	Tyrosine kinase homolog	0.0877	0.3597	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0044	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.2366	1	1
Onchocerca volvulus		0.04	0.1543	0.1122
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0339	0.1283	0.1271
Echinococcus granulosus	twitchin	0.0059	0.0077	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0014	0.0014
Onchocerca volvulus		0.04	0.1543	0.1122
Schistosoma mansoni	hypothetical protein	0.0339	0.1283	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0339	0.1283	0.1283
Schistosoma mansoni	cell adhesion molecule	0.0063	0.0095	0.0095
Brugia malayi	hypothetical protein	0.0044	0.0014	0.0014
Brugia malayi	Doublecortin family protein	0.0339	0.1283	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.04	0.1543	0.1543
Loa Loa (eye worm)	hypothetical protein	0.006	0.0082	0.0082
Brugia malayi	Carboxylesterase family protein	0.2366	1	1
Echinococcus granulosus	carboxylesterase 5A	0.2366	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.04	0.1543	0.1531
Echinococcus multilocularis	neuroligin	0.04	0.1543	0.1531
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.04	0.1543	0.5
Schistosoma mansoni	nephrin	0.0059	0.0077	0.0077
Echinococcus multilocularis	acetylcholinesterase	0.2366	1	1
Loa Loa (eye worm)	hypothetical protein	0.0339	0.1283	0.1283
Schistosoma mansoni	rab6-interacting	0.0339	0.1283	0.1283
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0339	0.1283	0.1271

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK cells	ChEMBL.	12477359
IC50 (binding)	= 200 nM	In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK cells	ChEMBL.	12477359
Metabolism (ADMET)	= 225 pM min-1 mg-1	Turnover in rat liver microsomes	ChEMBL.	12477359

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

ChEMBL: CHEMBL156654
PubChem: 11068219

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 266152