TDR Targets

Basic information

Technical information

TDR Targets ID: 1536620
Name: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)s ulfamoyl]-N-(furan-2-ylmethyl)-2-methylbenzam ide
MW: 480.536 | Formula: C24H24N4O5S
H donors: 2 H acceptors: 4 LogP: 2.96 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(ccc1C)S(=O)(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)NCc1ccco1
InChi: 1S/C24H24N4O5S/c1-16-11-12-20(14-21(16)23(29)25-15-19-10-7-13-33-19)34(31,32)26-22-17(2)27(3)28(24(22)30)18-8-5-4-6-9-18/h4-14,26H,15H2,1-3H3,(H,25,29)
InChiKey: XKDLFVUXBJHKSM-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

5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-N-(2-furylmethyl)-2-methyl-benzamide
5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-N-(2-furylmethyl)-2-methylbenzamide
N-(2-furylmethyl)-5-[(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzamide
5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-N-(furan-2-ylmethyl)-2-methyl-benzamide
T5335280
ZINC03410427

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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
Onchocerca volvulus		0.0035	0.0133	0.027
Mycobacterium leprae	PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g	0.0082	0.0803	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0194	0.2412	0.3901
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0157	0.1875	0.3032
Brugia malayi	Pre-SET motif family protein	0.0205	0.2566	0.415
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0529	0.0855
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0133	0.0128
Schistosoma mansoni	hypothetical protein	0.005	0.0343	0.029
Schistosoma mansoni	survival motor neuron protein	0.0094	0.097	0.092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0	0.5
Brugia malayi	hypothetical protein	0.0458	0.6184	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0094	0.097	0.1569
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0529	0.0477
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.2823	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0073	0.0682	0.1104
Brugia malayi	Pre-SET motif family protein	0.0029	0.0055	0.0089
Brugia malayi	DOMON domain containing protein	0.0073	0.0682	0.1104
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0383	0.5109	0.8262
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0189	0.2331	0.3769
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0343	0.0495
Loa Loa (eye worm)	hypothetical protein	0.005	0.0343	0.0555
Mycobacterium tuberculosis	Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g	0.0082	0.0803	0.2489
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0529	0.0855
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0529	0.0477
Schistosoma mansoni	hypothetical protein	0.005	0.0343	0.029
Echinococcus granulosus	GPCR family 2	0.005	0.0343	0.0495
Schistosoma mansoni	hypothetical protein	0.0329	0.4327	0.4296
Loa Loa (eye worm)	hypothetical protein	0.0383	0.5109	0.8262
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0133	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0529	0.0477
Brugia malayi	latrophilin 2 splice variant baaae	0.0107	0.1166	0.1886
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0383	0.5109	0.8251
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0133	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0133	0.0216
Leishmania major	hypothetical protein, conserved	0.0035	0.0133	1
Plasmodium vivax	SET domain protein, putative	0.0029	0.0055	0.4107
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0133	0.0079
Trichomonas vaginalis	DNA-3-methyladenine glycosylase, putative	0.0165	0.1991	0.6545
Toxoplasma gondii	ABC1 family protein	0.0035	0.0133	1
Echinococcus multilocularis	geminin	0.0329	0.4327	0.6971
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1289	0.2085
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0343	0.0555
Schistosoma mansoni	hypothetical protein	0.005	0.0343	0.029
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0529	0.0796
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0343	0.0555
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0133	0.0216
Brugia malayi	DOMON domain containing protein	0.0073	0.0682	0.1104
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0343	0.0471
Brugia malayi	beta-lactamase family protein	0.0035	0.0133	0.0216
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0157	0.1875	0.3032
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0055	0.4107
Schistosoma mansoni	hypothetical protein	0.005	0.0343	0.029
Onchocerca volvulus		0.0073	0.0682	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Schistosoma mansoni	hypothetical protein	0.0107	0.1166	0.1117
Trichomonas vaginalis	DNA-3-methyladenine glycosylase, putative	0.0165	0.1991	0.6545
Loa Loa (eye worm)	hypothetical protein	0.0458	0.6184	1
Onchocerca volvulus		0.0035	0.0133	0.027
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1289	0.2085
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0343	0.0495
Brugia malayi	RNA binding protein	0.0063	0.0529	0.0855
Schistosoma mansoni	hypothetical protein	0.0094	0.097	0.092
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0529	0.0477
Brugia malayi	beta-lactamase family protein	0.0035	0.0133	0.0216
Brugia malayi	beta-lactamase	0.0035	0.0133	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1166	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Brugia malayi	DOMON domain containing protein	0.0073	0.0682	0.1104
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0383	0.5109	0.5082
Loa Loa (eye worm)	hypothetical protein	0.0157	0.1875	0.3032
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0	0.5
Schistosoma mansoni	hypothetical protein	0.0329	0.4327	0.4296
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0383	0.5109	0.8247
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Echinococcus granulosus	geminin	0.0329	0.4327	0.6979
Loa Loa (eye worm)	DOMON domain-containing protein	0.0073	0.0682	0.1104
Echinococcus multilocularis	GPCR, family 2	0.005	0.0343	0.0471
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0529	0.0477
Echinococcus multilocularis	survival motor neuron protein 1	0.0458	0.6184	1
Echinococcus granulosus	survival motor neuron protein 1	0.0458	0.6184	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.5109	0.8262
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0529	0.0855
Onchocerca volvulus		0.0073	0.0682	0.2152
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0529	0.0855
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0343	0.0555
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0055	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0133	1
Brugia malayi	MH2 domain containing protein	0.0116	0.1289	0.2085
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0529	0.0773
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0133	0.0079
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0383	0.5109	0.8262
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0133	0.0153
Mycobacterium ulcerans	DNA-3-methyladenine glycosylase I TagA	0.0165	0.1991	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0133	0.0216
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.2971	1
Brugia malayi	TAR-binding protein	0.0063	0.0529	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0055	0.0089
Onchocerca volvulus		0.0234	0.2971	1
Onchocerca volvulus		0.0035	0.0133	0.027
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0157	0.1875	0.3032
Schistosoma mansoni	peptidylglycine monooxygenase	0.0383	0.5109	0.5082
Loa Loa (eye worm)	DOMON domain-containing protein	0.0073	0.0682	0.1104
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0133	1
Onchocerca volvulus		0.0094	0.097	0.3139
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.2566	0.415
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0216
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0343	0.0471

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	2.5119 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1900053

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 1536620