TDR Targets

Basic information

Technical information

TDR Targets ID: 1571850
Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(3-propan- 2-yloxybenzoyl)piperidin-1-yl]methanone
MW: 381.468 | Formula: C22H27N3O3
H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1cccc(c1)C(=O)C1CCCN(C1)C(=O)c1n[nH]c(c1)C1CC1)C
InChi: 1S/C22H27N3O3/c1-14(2)28-18-7-3-5-16(11-18)21(26)17-6-4-10-25(13-17)22(27)20-12-19(23-24-20)15-8-9-15/h3,5,7,11-12,14-15,17H,4,6,8-10,13H2,1-2H3,(H,23,24)
InChiKey: DRUHZYXWQDVGCW-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

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(3-isopropoxybenzoyl)-1-piperidyl]methanone
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[(3-isopropoxyphenyl)-oxomethyl]-1-piperidinyl]methanone
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0237	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0237	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0237	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4289	0.4289
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	nuclear hormone receptor	0.0112	0.3604	0.3604
Brugia malayi	tailless protein	0.0112	0.3604	0.3604
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0125	0.4289	0.3845
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Schistosoma mansoni	nuclear receptor nhr-48	0.0112	0.3604	0.3604
Brugia malayi	nuclear receptor RXR	0.0125	0.4289	0.4289
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0237	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0112	0.3604	0.3604
Brugia malayi	orphan nuclear receptor NR2E1	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor E75	0.0112	0.3604	0.3604
Brugia malayi	nuclear hormone receptor family member odr-7	0.0112	0.3604	0.3604
Loa Loa (eye worm)	hypothetical protein	0.006	0.0975	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Brugia malayi	hypothetical protein	0.0125	0.4289	0.4289
Echinococcus granulosus	nuclear receptor nhr 48	0.0112	0.3604	0.3107
Brugia malayi	hypothetical protein	0.0125	0.4289	0.4289
Schistosoma mansoni	coup transcription factor	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0112	0.3604	0.3107
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.4289	0.4289
Echinococcus granulosus	thyroid hormone receptor alpha	0.0112	0.3604	0.3107
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0721	0.0721
Onchocerca volvulus		0.0237	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0721	0.0721
Schistosoma mansoni	hypothetical protein	0.0205	0.8368	0.8368
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0237	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0975	0.0975
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0237	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0112	0.3604	0.3604
Echinococcus granulosus	FTZ F1 alpha	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0112	0.3604	0.3107
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0237	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0975	0.0975
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0237	1	1
Brugia malayi	nuclear receptor NHR-67	0.0112	0.3604	0.3604
Echinococcus multilocularis	nuclear receptor nhr 48	0.0112	0.3604	0.3107
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0112	0.3604	0.3107
Onchocerca volvulus	Bile acid receptor homolog	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4289	0.4289
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0125	0.4289	0.4289
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0237	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0112	0.3604	0.3107
Brugia malayi	conserved hypotetical protein	0.0112	0.3604	0.3604
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0237	1	1
Brugia malayi	hypothetical protein	0.0112	0.3604	0.3604
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0112	0.3604	0.3107
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4289	0.4289
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4289	0.4289
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Echinococcus multilocularis	ecdysone induced protein 78C	0.0237	1	1
Echinococcus granulosus	geminin	0.0205	0.8368	0.8241
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0237	1	1
Brugia malayi	hypothetical protein	0.0112	0.3604	0.3604
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0237	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0112	0.3604	0.3107
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0237	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0237	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0721	0.0721
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0721	0.0721
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0112	0.3604	0.3604
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4289	0.4289
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	nuclear receptor NHR-88	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0237	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0237	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0237	1	1
Brugia malayi	nuclear receptor NHR-88	0.0112	0.3604	0.3604
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0237	1	1
Loa Loa (eye worm)	DR-78	0.0112	0.3604	0.3604
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0125	0.4289	0.4289
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	steroid hormone receptor	0.0237	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0237	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0237	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0237	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0112	0.3604	0.3107
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0237	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0112	0.3604	0.3107
Schistosoma mansoni	nuclear receptor	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0237	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0112	0.3604	0.3604
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0237	1	1
Brugia malayi	ecdysone receptor	0.0112	0.3604	0.3604
Schistosoma mansoni	thyroid hormone receptor	0.0237	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor E75	0.0112	0.3604	0.3604
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0112	0.3604	0.3107
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Echinococcus multilocularis	FTZ F1 alpha	0.0237	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0237	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0237	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0125	0.4289	0.4289
Schistosoma mansoni	hypothetical protein	0.0205	0.8368	0.8368
Schistosoma mansoni	nuclear receptor	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.4289	0.4289
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0112	0.3604	0.3604
Schistosoma mansoni	zinc finger protein	0.0112	0.3604	0.3604
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0237	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0237	1	1
Echinococcus multilocularis	geminin	0.0205	0.8368	0.8241
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0237	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0112	0.3604	0.3604
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0237	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0237	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0237	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0237	1	1
Brugia malayi	nuclear receptor RXR	0.0112	0.3604	0.3604
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0975	0.0975
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0125	0.4289	0.3845
Onchocerca volvulus	Protein ultraspiracle homolog	0.0237	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0721	0.0721
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0237	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0112	0.3604	0.3604
Schistosoma mansoni	nuclear hormone receptor	0.0112	0.3604	0.3604
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0237	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0237	1	1
Brugia malayi	nuclear hormone receptor	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604
Brugia malayi	Nuclear hormone receptor-like 1	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3604	0.3604

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0065 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.2213 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1893673

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 1571850