TDR Targets

Basic information

Technical information

TDR Targets ID: 1674080
Name: 2,2,2-trifluoro-1-[7-hydroxy-9-methoxy-7-(tri fluoromethyl)-12H-benzo[c]acridin-5-yl]ethano ne
MW: 441.323 | Formula: C21H13F6NO3
H donors: 2 H acceptors: 2 LogP: 5.31 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)C(O)(c1c(N2)c2ccccc2c(c1)C(=O)C(F)(F)F)C(F)(F)F
InChi: 1S/C21H13F6NO3/c1-31-10-6-7-16-14(8-10)19(30,21(25,26)27)15-9-13(18(29)20(22,23)24)11-4-2-3-5-12(11)17(15)28-16/h2-9,28,30H,1H3
InChiKey: KVKAGQUIZDIOTF-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

2,2,2-Trifluoro-1-(7-hydroxy-9-methoxy-7-(trifluoromethyl)-7,12-dihydrobenzo[c]acridin-5-yl)ethanone
AIDS-139007
AIDS139007
NSC646982
NCI60_016244

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
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Schistosoma mansoni	cpg binding protein	0.0035	0.1272	0.3018
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0005	0.0021	0.0146
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1426	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Entamoeba histolytica	G protein alpha subunit, putative	0.0005	0.0021	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.1426	0.5
Brugia malayi	beta-lactamase family protein	0.0039	0.1426	0.339
Mycobacterium leprae	Probable lipase LipE	0.0039	0.1426	0.5
Brugia malayi	RNA binding protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0005	0.0021	0.0146
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0107	0.4166	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0172	0.0366
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1426	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.1426	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1426	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.2834	0.6786
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0107	0.4166	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Onchocerca volvulus		0.0039	0.1426	1
Echinococcus granulosus	cpg binding protein	0.0035	0.1272	0.3018
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0172	0.0366
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0005	0.0021	0.0146
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0255	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Brugia malayi	CXXC zinc finger family protein	0.0033	0.1194	0.2831
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0005	0.0021	0.0146
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0172	0.0366
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Brugia malayi	beta-lactamase	0.0039	0.1426	0.339
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0255	0.0566
Echinococcus multilocularis	cpg binding protein	0.0035	0.1272	0.3018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1426	0.339
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1426	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0107	0.4166	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1426	1
Onchocerca volvulus		0.0039	0.1426	1
Schistosoma mansoni	cpg binding protein	0.0035	0.1272	0.3018
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0143	0.1001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1426	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.1426	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.2411	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.1426	0.339
Trichomonas vaginalis	helicase, putative	0.0008	0.0143	0.1001
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.1426	0.339
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.2834	0.6786
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0107	0.4166	1
Trichomonas vaginalis	esterase, putative	0.0039	0.1426	1
Echinococcus granulosus	tar DNA binding protein	0.0074	0.2834	0.6786
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1426	0.339
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.1194	0.2831
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0172	0.0366
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0107	0.4166	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0107	0.4166	1
Schistosoma mansoni	cpg binding protein	0.0033	0.1194	0.2831
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.003	0.0022
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.025	0.0553
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.1426	0.339
Mycobacterium ulcerans	lipase LipD	0.0039	0.1426	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.1426	0.5
Loa Loa (eye worm)	RNA binding protein	0.0074	0.2834	0.6786
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.2834	0.6786
Mycobacterium ulcerans	hypothetical protein	0.0039	0.1426	0.5
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0005	0.0021	0.0146
Brugia malayi	TAR-binding protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1426	0.339
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.1426	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0107	0.4166	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0143	0.1001
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0255	0.0566
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.1426	0.339
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.2834	0.6786
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0107	0.4166	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1426	0.5
Mycobacterium ulcerans	beta-lactamase	0.0039	0.1426	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0005	0.0021	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0107	0.4166	1
Brugia malayi	beta-lactamase family protein	0.0039	0.1426	0.339
Loa Loa (eye worm)	beta-lactamase	0.0039	0.1426	0.339
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.2719	0.6509
Onchocerca volvulus		0.0039	0.1426	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0172	0.0366
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0143	0.1001
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0005	0.0021	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.2834	0.6786
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0005	0.0021	0.0146
Leishmania major	hypothetical protein, conserved	0.0039	0.1426	0.5
Onchocerca volvulus		0.0033	0.1194	0.8353
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0143	0.1001

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.262	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.006	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.906	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.863	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.833	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.796	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.787	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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

ChEMBL: CHEMBL1992503

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 1674080