Detailed information for compound 1632587

Basic information

Technical information
  • TDR Targets ID: 1632587
  • Name: 3-(trifluoromethyl)-1-[4-(trifluoromethyl)phe nyl]urea
  • MW: 272.147 | Formula: C9H6F6N2O
  • H donors: 2 H acceptors: 1 LogP: 3.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(F)(F)F)Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C9H6F6N2O/c10-8(11,12)5-1-3-6(4-2-5)16-7(18)17-9(13,14)15/h1-4H,(H2,16,17,18)
  • InChiKey: LHZPOSXEKNIMOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS146092
  • N-(Trifluoromethyl)-N'-(4-(trifluoromethyl)phenyl)urea
  • NSC672069
  • NCI60_025565
  • AIDS-146092

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0046 0.0412 0.0496
Echinococcus multilocularis microtubule associated protein 2 0.0642 0.8479 0.8444
Toxoplasma gondii Erv1 / Alr family protein 0.0032 0.0221 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.0088 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0088 0.0114
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0088 1
Echinococcus multilocularis tumor protein p63 0.0314 0.4044 0.3909
Schistosoma mansoni cellular tumor antigen P53 0.0046 0.0412 0.0234
Mycobacterium ulcerans hypothetical protein 0.0022 0.0088 1
Echinococcus granulosus tumor protein p63 0.0314 0.4044 0.463
Schistosoma mansoni microtubule-associated protein tau 0.0642 0.8479 1
Leishmania major hypothetical protein, conserved 0.0032 0.0221 0.0204
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0088 0.5
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0032 0.0221 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0122 0.1445 0.2077
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0505 0.6623 1
Toxoplasma gondii Erv1 / Alr family protein 0.0032 0.0221 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0022 0.0088 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0088 0.5
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0032 0.0221 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0455 0.5947 0.6934
Loa Loa (eye worm) STAT protein 0.0122 0.1445 0.2168
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0505 0.6623 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0088 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0088 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0505 0.6623 1
Loa Loa (eye worm) hypothetical protein 0.0505 0.6623 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0505 0.6623 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0022 0.0088 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0417 0.0504
Brugia malayi Augmenter of liver regeneration 0.0032 0.0221 0.0204
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0016 0.0012 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0505 0.6623 1
Echinococcus multilocularis lysosomal protective protein 0.0505 0.6623 0.6546
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0505 0.6623 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0505 0.6623 0.7753
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0022 0.0088 0.5
Echinococcus granulosus microtubule associated protein 2 0.0642 0.8479 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0505 0.6623 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0218 0.0312
Loa Loa (eye worm) hypothetical protein 0.0022 0.0088 0.0114
Loa Loa (eye worm) hepatopoietin HPO2 0.0032 0.0221 0.0316
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0022 0.0088 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0016 0.0012 0.139
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.005 0.0465 0.0298
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0505 0.6623 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0022 0.0088 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0417 0.0612
Echinococcus granulosus lysosomal protective protein 0.0505 0.6623 0.7752
Entamoeba histolytica acyl-coA synthetase, putative 0.0022 0.0088 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0505 0.6623 0.7753
Loa Loa (eye worm) hypothetical protein 0.0046 0.0417 0.0612
Loa Loa (eye worm) hypothetical protein 0.0046 0.0412 0.0605
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0505 0.6623 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0088 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0088 0.0114
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0505 0.6623 1
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0218 0.02
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0455 0.5947 0.5856
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0022 0.0088 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0417 0.0504

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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 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 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) -4 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 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
GI50 (functional) -4 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

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

Bibliographic References

No literature references available for this target.

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