TDR Targets

Basic information

Technical information

TDR Targets ID: 574818
Name: N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-ox o-pyrrolo[3,2-c]quinoline-2-carboxamide
MW: 375.42 | Formula: C22H21N3O3
H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1CNC(=O)c1cc2c(n1C)c1ccccc1n(c2=O)C
InChi: 1S/C22H21N3O3/c1-24-18(21(26)23-13-14-8-4-7-11-19(14)28-3)12-16-20(24)15-9-5-6-10-17(15)25(2)22(16)27/h4-12H,13H2,1-3H3,(H,23,26)
InChiKey: MARYETQIUPPREF-UHFFFAOYSA-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

N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
4-keto-1,5-dimethyl-N-o-anisyl-pyrrolo[3,2-c]quinoline-2-carboxamide
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[4,5-c]quinoline-2-carboxamide
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-oxo-pyrrolo[4,5-c]quinoline-2-carboxamide
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-oxo-2-pyrrolo[4,5-c]quinolinecarboxamide
4-keto-N-(2-methoxybenzyl)-1,5-dimethyl-pyrrolo[4,5-c]quinoline-2-carboxamide
MLS000118083
SMR000095031

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.005	0.0465	0.0465
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0619	0.0619
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.005	0.0465	1
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0476	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0476	0.5953
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0476	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0252	0.0252
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.028	0.139
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.3407
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0476	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0476	0.5
Onchocerca volvulus		0.0051	0.0476	1
Toxoplasma gondii	kringle domain-containing protein	0.005	0.0465	0.0658
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0476	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0046	0.0046
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0674	0.0674
Brugia malayi	Kringle domain containing protein	0.005	0.0465	0.4955
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0046	0.0046
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0476	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.3407
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0476	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.0021	0.0016	0.0016
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0476	0.5099
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0476	0.5
Plasmodium falciparum	cysteine repeat modular protein 1	0.005	0.0465	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.3407
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0194	0.2301
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Schistosoma mansoni	microtubule-associated protein tau	0.0669	1	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0194	0.2301
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0327	0.4014
Toxoplasma gondii	PAN domain-containing protein	0.03	0.4316	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0465	0.5809
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0789	1
Echinococcus multilocularis	microtubule associated protein 2	0.0669	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0476	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0356	0.4395
Loa Loa (eye worm)	hypothetical protein	0.0038	0.029	0.3541
Echinococcus granulosus	tissue type plasminogen activator	0.005	0.0465	0.0465
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0476	0.5099
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0476	0.5953
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Echinococcus multilocularis	tissue type plasminogen activator	0.005	0.0465	0.0465
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0476	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0619	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.3407
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.3407
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0476	1
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.028	0.5
Brugia malayi	Protein kinase domain containing protein	0.005	0.0465	0.4955
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0476	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0476	0.5953
Brugia malayi	Bromodomain containing protein	0.0038	0.0289	0.2673
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0194	0.2301
Loa Loa (eye worm)	TK/ROR protein kinase	0.005	0.0465	0.5809
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0476	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0476	1
Onchocerca volvulus		0.005	0.0465	0.9607
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0194	0.2301
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0476	1
Toxoplasma gondii	PAN domain-containing protein	0.03	0.4316	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0476	1
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0476	0.5099
Loa Loa (eye worm)	PAN domain-containing protein	0.0032	0.0194	0.2301
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.2301
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0476	1
Brugia malayi	PAN domain containing protein	0.0032	0.0194	0.1447
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0476	0.5
Brugia malayi	Bromodomain containing protein	0.0075	0.0855	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference

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

Search by CAS
ChEMBL: CHEMBL1380137
PubChem: 5309245

Bibliographic References

No literature references available for this target.

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Detailed information for compound 574818