TDR Targets

Basic information

Technical information

TDR Targets ID: 1227013
Name: N-cyclopentyl-2-[3-(4-methylphenyl)pyrazolo[4 ,5-c]quinolin-1-yl]acetamide
MW: 384.474 | Formula: C24H24N4O
H donors: 1 H acceptors: 3 LogP: 4.58 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cn1nc(c2c1c1ccccc1nc2)c1ccc(cc1)C)NC1CCCC1
InChi: 1S/C24H24N4O/c1-16-10-12-17(13-11-16)23-20-14-25-21-9-5-4-8-19(21)24(20)28(27-23)15-22(29)26-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7,15H2,1H3,(H,26,29)
InChiKey: QEJZFDDQYXCQHV-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

N-cyclopentyl-2-[3-(4-methylphenyl)-1-pyrazolo[4,5-c]quinolinyl]acetamide
N-cyclopentyl-2-[3-(4-methylphenyl)pyrazolo[4,5-c]quinolin-1-yl]ethanamide
G341-0206
NCGC00130331-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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	steroid hormone receptor ad4bp	0.0021	0	0.0001
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0	0.0001
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.6036	1
Brugia malayi	beta-lactamase	0.0037	0.0748	0.1323
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0	0.0001
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0	0.0001
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0	0.0001
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.6036	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0	0.0001
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0085	0.3048	0.5393
Onchocerca volvulus		0.0037	0.0748	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.5652	0.9364
Schistosoma mansoni	hypothetical protein	0.0128	0.5067	0.8395
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0748	0.124
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0	0.0001
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0748	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.5652	0.9364
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0	0.0001
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1072	0.1776
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1345	0.238
Brugia malayi	beta-lactamase family protein	0.0037	0.0748	0.1323
Schistosoma mansoni	bromodomain containing protein	0.0076	0.2626	0.435
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0	0.0001
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0	0.0001
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.6036	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0748	0.1324
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Schistosoma mansoni	coup transcription factor	0.0021	0	0.0001
Echinococcus multilocularis	zinc finger protein	0.0024	0.0143	0.0237
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.2422	0.4286
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0	0.0001
Brugia malayi	PHD-finger family protein	0.003	0.0446	0.0789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0	0.0001
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0312	0.0517
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0748	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0699	0.5
Brugia malayi	MH2 domain containing protein	0.0121	0.4724	0.8359
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.5652	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.4724	0.8359
Entamoeba histolytica	hypothetical protein	0.0035	0.0699	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0	0.0001
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0699	0.1237
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0	0.0001
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0748	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0	0.0001
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0128	0.5067	0.8965
Echinococcus granulosus	zinc finger protein	0.0024	0.0143	0.0254
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0	0.0001
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0141	0.5652	1
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0035	0.0062
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0748	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0	0.0001
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0312	0.0517
Toxoplasma gondii	ABC1 family protein	0.0037	0.0748	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0748	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0	0.0001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.5652	0.9364
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Onchocerca volvulus		0.0037	0.0748	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0748	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0	0.0001
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0	0.0001
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.4724	0.8359
Brugia malayi	Bromodomain containing protein	0.0091	0.3291	0.5823
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0	0.0001
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0748	0.1323
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0312	0.0552
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0203	0.036
Brugia malayi	Bromodomain containing protein	0.0046	0.1207	0.2134
Leishmania major	hypothetical protein, conserved	0.0037	0.0748	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0699	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1211	0.2142
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0748	0.1324
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.5652	0.9364
Trichomonas vaginalis	esterase, putative	0.0037	0.0748	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0	0.0001
Echinococcus granulosus	FTZ F1 alpha	0.0021	0	0.0001
Schistosoma mansoni	hypothetical protein	0.0035	0.0699	0.1159
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0748	0.124
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.2422	0.4013
Schistosoma mansoni	nuclear hormone receptor	0.0021	0	0.0001
Brugia malayi	hypothetical protein	0.0035	0.0699	0.1237
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0748	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0699	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0699	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.5652	0.9364
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0141	0.5652	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0748	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0748	0.1324
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0699	0.1159
Onchocerca volvulus		0.0037	0.0748	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.5652	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0	0.0001
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0748	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1454	0.2572
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0748	0.5
Brugia malayi	beta-lactamase family protein	0.0037	0.0748	0.1323
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0748	0.1324
Schistosoma mansoni	zinc finger protein	0.0024	0.0143	0.0237
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0	0.0001
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0	0.0001
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0	0.0001
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1072	0.1897
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0748	0.124
Schistosoma mansoni	hypothetical protein	0.0025	0.0203	0.0337
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0	0.0001
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0128	0.5067	0.8395
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0	0.0001
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0748	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2589 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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

ChEMBL: CHEMBL1365916

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1227013