TDR Targets

Basic information

Technical information

TDR Targets ID: 1201748
Name: 4-[[2,2-di(phenyl)acetyl]amino]benzoic acid
MW: 331.365 | Formula: C21H17NO3
H donors: 2 H acceptors: 3 LogP: 3.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C(=O)O
InChi: 1S/C21H17NO3/c23-20(22-18-13-11-17(12-14-18)21(24)25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)(H,24,25)
InChiKey: LVEZEKXRACCOLZ-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

4-[[1-oxo-2,2-di(phenyl)ethyl]amino]benzoic acid
4-[2,2-di(phenyl)ethanoylamino]benzoic acid
MLS001181238
SMR000502449
Oprea1_831279
ST018772
Oprea1_800725

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0011	0.0116	0.0123
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0116	0.0131
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.14	0.7515
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.14	0.655
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.1256	0.1422
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3073	0.3478
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0116	0.0131
Schistosoma mansoni	endoplasmin	0.0046	0.1698	0.1923
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.1698	0.2155
Schistosoma mansoni	hypothetical protein	0.0205	0.8834	1
Brugia malayi	Endoplasmin precursor	0.0046	0.1698	0.18
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.1572	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0116	0.0123
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3073	0.3257
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3073	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0116	0.0123
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.1698	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.5014	0.5314
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1256	0.4883
Schistosoma mansoni	dep domain containing protein	0.0011	0.0116	0.0131
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Echinococcus multilocularis	heat shock protein 90	0.0039	0.14	0.1585
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Loa Loa (eye worm)	hypothetical protein	0.0218	0.9436	1
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.1132	0.345
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0116	0.0123
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3073	0.3478
Brugia malayi	DIX domain containing protein	0.0011	0.0116	0.0123
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1698	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0043	0.1572	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.1572	0.817
Brugia malayi	beta-lactamase family protein	0.0036	0.1256	0.1331
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.1132	0.345
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.1256	0.1331
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1256	0.1422
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0116	0.0131
Schistosoma mansoni	heat shock protein	0.0046	0.1698	0.1923
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3073	0.3478
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.1698	0.2155
Schistosoma mansoni	hypothetical protein	0.0205	0.8834	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0116	0.0131
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.1698	0.1074
Brugia malayi	MH2 domain containing protein	0.012	0.5014	0.5314
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.1256	0.1553
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Schistosoma mansoni	heat shock protein	0.0031	0.1005	0.1138
Brugia malayi	Hsp90 protein	0.0031	0.1005	0.1065
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0.1005	0.0954
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.1698	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.1256	0.1331
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1256	0.4883
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0116	0.0123
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.1256	0.1331
Plasmodium vivax	endoplasmin, putative	0.0046	0.1698	0.1074
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1572	0.8533
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.1698	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1256	0.6315
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1256	0.4883
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.9436	1
Echinococcus multilocularis	heat shock protein	0.0046	0.1698	0.1923
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3073	0.3478
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0031	0.1005	0.1138
Brugia malayi	beta-lactamase	0.0036	0.1256	0.1331
Echinococcus granulosus	heat shock protein 90	0.0046	0.1698	0.1923
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Trypanosoma cruzi	heat shock protein, putative	0.0031	0.1005	0.4226
Loa Loa (eye worm)	endoplasmin	0.0046	0.1698	0.18
Plasmodium falciparum	endoplasmin, putative	0.0033	0.1132	0.045
Schistosoma mansoni	dishevelled	0.0011	0.0116	0.0131
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.1698	1
Brugia malayi	beta-lactamase family protein	0.0036	0.1256	0.1331
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1256	0.4883
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3073	0.3478
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0116	0.0131
Brugia malayi	TAR-binding protein	0.0076	0.3073	0.3257
Plasmodium falciparum	heat shock protein 90	0.0046	0.1698	0.1305
Treponema pallidum	heat shock protein 90	0.0043	0.1572	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0116	0.0131
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0116	0.0131
Loa Loa (eye worm)	heat shock protein 75	0.0031	0.1005	0.1065
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.1256	0.3617
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3073	0.3257
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1698	1
Brugia malayi	N-terminal motif family protein	0.0218	0.9436	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0116	0.0123
Giardia lamblia	Grp94/Hsp90	0.0043	0.1572	0.5748
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0116	0.0123
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3073	0.3478
Echinococcus multilocularis	geminin	0.0205	0.8834	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Brugia malayi	heat shock protein 90	0.0046	0.1698	0.18
Plasmodium vivax	heat shock protein, putative	0.0174	0.746	1
Onchocerca volvulus		0.0036	0.1256	0.1223
Brugia malayi	RNA binding protein	0.0076	0.3073	0.3257
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1256	0.1422
Echinococcus multilocularis	endoplasmin	0.0043	0.1572	0.1779
Schistosoma mansoni	dishevelled	0.0011	0.0116	0.0131
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.5014	0.5314
Toxoplasma gondii	heat shock protein 75, putative	0.0031	0.1005	0.1211
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0116	0.0131
Echinococcus granulosus	heat shock protein	0.0046	0.1698	0.1923
Onchocerca volvulus		0.0036	0.1256	0.1223
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.1698	1
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0116	0.0131
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3073	0.3257
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3073	0.3478
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0116	0.0131
Brugia malayi	hypothetical protein	0.0011	0.0116	0.0123
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0116	0.0131
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1256	0.6315
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.1698	0.18
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.14	0.1585
Toxoplasma gondii	Hsp90 domain-containing protein	0.0174	0.746	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1572	0.8533
Plasmodium falciparum	heat shock protein 90, putative	0.0174	0.746	1
Echinococcus granulosus	geminin	0.0205	0.8834	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1256	0.1331
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.1698	1
Mycobacterium ulcerans	heat shock protein 90	0.0043	0.1572	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1698	1
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.14	0.7515
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1256	0.4883
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0043	0.1572	0.0361
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0116	0.0131
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Schistosoma mansoni	endoplasmin	0.0046	0.1698	0.1923
Leishmania major	heat shock protein 83-1	0.0046	0.1698	1
Schistosoma mansoni	heat shock protein	0.0046	0.1698	0.1923
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.1256	0.1422
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0116	0.0123
Echinococcus multilocularis	heat shock protein 90	0.0046	0.1698	0.1923
Echinococcus granulosus	heat shock protein 90	0.0039	0.14	0.1585
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0116	0.0123
Trichomonas vaginalis	esterase, putative	0.0036	0.1256	0.4883
Echinococcus granulosus	endoplasmin	0.0043	0.1572	0.1779
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.1698	1
Onchocerca volvulus		0.0036	0.1256	0.1223
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.1256	0.0388
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.1698	1
Leishmania major	hypothetical protein, conserved	0.0036	0.1256	0.3617
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0031	0.1005	0.1138
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0116	0.0131

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.2 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	50.1187 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
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: CHEMBL1303433

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 1201748