Detailed information for compound 1500135

Basic information

Technical information
  • TDR Targets ID: 1500135
  • Name: 5-[(4-fluorophenyl)carbamoyl]-3H-imidazole-4- carboxylic acid
  • MW: 249.198 | Formula: C11H8FN3O3
  • H donors: 3 H acceptors: 4 LogP: 1.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc[nH]c1C(=O)O)Nc1ccc(cc1)F
  • InChi: 1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,(H,13,14)(H,15,16)(H,17,18)
  • InChiKey: VRQZJKLTBLHHHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[(4-fluorophenyl)amino]-oxomethyl]-3H-imidazole-4-carboxylic acid
  • 5-(4-Fluoro-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
  • BAS 01557661
  • ST5009937

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.2568 0.2835
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2325 0.2325
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1543 0.1703
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1799 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.07 0.0773
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1799 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.5811 0.6413
Loa Loa (eye worm) hypothetical protein 0.0046 0.2718 0.3
Echinococcus multilocularis zinc finger protein 0.0024 0.0322 0.0322
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1543 0.1703
Brugia malayi Cytochrome P450 family protein 0.0027 0.0676 0.0545
Brugia malayi Bromodomain containing protein 0.0038 0.1845 0.173
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0456 0.0504
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.1799 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.5894 0.6505
Brugia malayi PHD-finger family protein 0.003 0.1002 0.0875
Echinococcus granulosus zinc finger protein 0.0024 0.0322 0.0322
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.1799 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0676 0.0747
Echinococcus granulosus peregrin 0.0038 0.1845 0.1845
Loa Loa (eye worm) hypothetical protein 0.0066 0.4757 0.5249
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.1799 0.1799
Brugia malayi hypothetical protein 0.0106 0.9061 0.9048
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1543 0.1543
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.5811 0.5811
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1543 0.1543
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.07 0.07
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.1799 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.7388 0.7351
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.1383 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.07 0.07
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.5286 1
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0139 0.0154
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.2568 0.2835
Plasmodium falciparum phd finger protein, putative 0.0035 0.1543 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.3263 0.3601
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.5286 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0139 0.0139
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.1787 0.1972
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0676 0.0747
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.5811 0.5752
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.1799 0.1799
Loa Loa (eye worm) hypothetical protein 0.0085 0.6843 0.7552
Brugia malayi Inositol-1 0.0038 0.1799 0.1683
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0139 0.0139
Schistosoma mansoni inositol monophosphatase 0.0038 0.1799 0.1986
Giardia lamblia PHD finger protein 15 0.0035 0.1543 0.5
Schistosoma mansoni inositol monophosphatase 0.0038 0.1799 0.1986
Loa Loa (eye worm) hypothetical protein 0.0049 0.302 0.3333
Loa Loa (eye worm) hypothetical protein 0.006 0.4198 0.4634
Schistosoma mansoni eyes absent homolog 0.0106 0.9061 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.5437 0.5437
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.6545 0.7223
Brugia malayi PHD-finger family protein 0.0035 0.1543 0.1423
Loa Loa (eye worm) hypothetical protein 0.0035 0.1543 0.1703
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7498 0.8275
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2999 0.2999
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0078 0.0086
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0676 0.0747
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1543 0.5
Loa Loa (eye worm) inositol-1 0.0038 0.1799 0.1986
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.2568 0.2568
Onchocerca volvulus Alhambra homolog 0.0035 0.1543 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0139 0.0154
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.6545 0.7223
Schistosoma mansoni hypothetical protein 0.0025 0.0456 0.0504
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.5437 0.5437
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.2568 0.2835
Schistosoma mansoni zinc finger protein 0.0024 0.0322 0.0355
Loa Loa (eye worm) hypothetical protein 0.0106 0.9061 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2407 0.2407
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2999 0.2999
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.1383 0.5
Brugia malayi Cytochrome P450 family protein 0.0038 0.1787 0.1671
Echinococcus multilocularis peregrin 0.0038 0.1845 0.1845
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.1799 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5501 0.6071
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0139 0.0154
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2407 0.2407
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1799 1
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0139 0.0139
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0139 0.0139
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1799 1
Schistosoma mansoni hypothetical protein 0.0035 0.1543 0.1703
Loa Loa (eye worm) hypothetical protein 0.0106 0.9061 1
Brugia malayi jmjC domain containing protein 0.0045 0.2568 0.2464
Brugia malayi Bromodomain containing protein 0.0046 0.2709 0.2606
Brugia malayi Cytochrome P450 family protein 0.0027 0.0676 0.0545
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.5811 0.5811
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 20 uM Cytotoxicity against human MT4 cells ChEMBL. 23985689
IC50 (binding) > 20 uM Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity ChEMBL. 23985689
IC50 (binding) > 20 uM Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity ChEMBL. 23985689
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 8.2753 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 15.104 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Bibliographic References

No literature references available for this target.

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