Detailed information for compound 1589702

Basic information

Technical information
  • TDR Targets ID: 1589702
  • Name: 2-(2,4-dichlorobenzoyl)-7-hydroxychromen-4-on e
  • MW: 335.138 | Formula: C16H8Cl2O4
  • H donors: 1 H acceptors: 3 LogP: 4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)c1cc(=O)c2c(o1)cc(cc2)O
  • InChi: 1S/C16H8Cl2O4/c17-8-1-3-10(12(18)5-8)16(21)15-7-13(20)11-4-2-9(19)6-14(11)22-15/h1-7,19H
  • InChiKey: CANJQZFRAWCZJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-dichlorobenzoyl)-7-hydroxy-chromen-4-one
  • 2-[(2,4-dichlorophenyl)-oxomethyl]-7-hydroxy-4-chromenone
  • 2-(2,4-dichlorobenzoyl)-7-hydroxy-chromone
  • 2-(2,4-dichlorophenyl)carbonyl-7-hydroxy-chromen-4-one
  • AIDS138867
  • NSC646381
  • NCI60_016046
  • 2-(2,4-Dichlorobenzoyl)-7-hydroxy-4H-chromen-4-one
  • AIDS-138867

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
Loa Loa (eye worm) hypothetical protein 0.0219 0.0379 0.128
Brugia malayi Immunoglobulin I-set domain containing protein 0.0162 0.0256 0.0865
Brugia malayi Cytochrome P450 family protein 0.0368 0.0697 0.2356
Echinococcus multilocularis 0.0225 0.0392 0.0561
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0009 0.0029
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0215 0.037 0.0529
Schistosoma mansoni hypothetical protein 0.0225 0.0392 0.0392
Schistosoma mansoni nephrin 0.005 0.0018 0.0018
Entamoeba histolytica serine/threonine protein kinase, putative 0.1424 0.2959 1
Trypanosoma cruzi polo-like protein kinase, putative 0.1424 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.0468 0.1583
Echinococcus multilocularis lachesin 0.0046 0.0009 0.0012
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3301 0.6981 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0031
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.005 0.0018 0.0025
Echinococcus multilocularis tyrosine protein kinase otk 0.0046 0.0009 0.0012
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1274 0.2639 0.8917
Loa Loa (eye worm) hypothetical protein 0.0237 0.0417 0.1411
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0215 0.037 0.037
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.006
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1424 0.2959 1
Echinococcus multilocularis hemicentin 1 0.0046 0.0009 0.0012
Brugia malayi Prion-like- 0.0046 0.0009 0.0029
Echinococcus granulosus roundabout 2 0.005 0.0018 0.0025
Plasmodium falciparum serine/threonine protein kinase, putative 0.0624 0.1246 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0046 0.0008 0.0011
Echinococcus granulosus peroxidasin 0.0046 0.0009 0.0013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0225 0.0392 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Echinococcus multilocularis neuroglian 0.0238 0.0421 0.0602
Trypanosoma brucei polo-like protein kinase 0.1424 0.2959 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.005 0.0018 0.0025
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0225 0.0392 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0368 0.0697 1
Schistosoma mansoni septate junction protein 0.0046 0.0009 0.0009
Brugia malayi Fibronectin type III domain containing protein 0.0219 0.0379 0.128
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.006
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.005 0.0018 0.0025
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0225 0.0392 0.5
Loa Loa (eye worm) hypothetical protein 0.0261 0.0468 0.1583
Schistosoma mansoni roundabout 0.0046 0.0009 0.0009
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0624 0.1246 0.1785
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0225 0.0392 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0368 0.0697 0.1189
Loa Loa (eye worm) hypothetical protein 0.0215 0.037 0.1251
Loa Loa (eye worm) hypothetical protein 0.005 0.0018 0.006
Schistosoma mansoni cell adhesion molecule 0.005 0.0018 0.0018
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.005 0.0018 0.006
Toxoplasma gondii aurora kinase 0.0624 0.1246 1
Echinococcus multilocularis roundabout 2 0.005 0.0018 0.0025
Onchocerca volvulus 0.1015 0.2084 0.7043
Schistosoma mansoni titin 0.0046 0.0009 0.0009
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0225 0.0392 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.006
Loa Loa (eye worm) hypothetical protein 0.0219 0.0379 0.128
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0138 0.0205 0.0294
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0624 0.1246 0.1785
Schistosoma mansoni neuroglian 0.005 0.0018 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0225 0.0392 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Trypanosoma brucei aurora B kinase 0.0624 0.1246 0.3328
Echinococcus multilocularis contactin neuroglian septate junction protein 0.005 0.0018 0.0025
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Echinococcus granulosus aurora kinase A 0.0624 0.1246 0.1785
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0225 0.0392 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.005 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Echinococcus multilocularis roundabout 2 0.005 0.0018 0.0025
Schistosoma mansoni nephrin 0.0243 0.043 0.043
Brugia malayi Cytochrome P450 family protein 0.0883 0.1802 0.609
Schistosoma mansoni cytochrome P450 0.0225 0.0392 0.0392
Echinococcus multilocularis Immunoglobulin 0.0215 0.037 0.0529
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0046 0.0009 0.0029
Brugia malayi Cytochrome P450 family protein 0.0368 0.0697 0.2356
Brugia malayi Peroxidasin 0.0046 0.0009 0.0031
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0009 0.0029
Schistosoma mansoni protein kinase 0.0624 0.1246 0.1246
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0225 0.0392 0.5
Echinococcus granulosus contactin 0.005 0.0018 0.0025
Schistosoma mansoni tyrosine kinase 0.0068 0.0056 0.0056
Loa Loa (eye worm) CYP4Cod1 0.0368 0.0697 0.2356
Onchocerca volvulus Tyrosine kinase homolog 0.1061 0.2182 0.7374
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0225 0.0392 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Loa Loa (eye worm) cytochrome P450 family protein 0.0368 0.0697 0.2356
Loa Loa (eye worm) cytochrome P450 family protein 0.0368 0.0697 0.2356
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0138 0.0205 0.0294
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0225 0.0392 0.5
Brugia malayi Cytochrome P450 family protein 0.0225 0.0392 0.1324
Brugia malayi hypothetical protein 0.0219 0.0379 0.128
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.005 0.0018 0.0025
Echinococcus granulosus neuroglian 0.005 0.0018 0.0025
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Echinococcus granulosus neuroglian 0.0238 0.0421 0.0602
Trypanosoma cruzi aurora B kinase, putative 0.0624 0.1246 0.3328
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0225 0.0392 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1424 0.2959 0.4239
Echinococcus granulosus cytochrome P450 2K1 0.0225 0.0392 0.0561
Echinococcus granulosus lachesin 0.0046 0.0009 0.0012
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0237 0.0417 0.0598
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0046 0.0009 0.0012
Loa Loa (eye worm) TK protein kinase 0.0162 0.0256 0.0865
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Leishmania major cytochrome p450-like protein 0.0368 0.0697 0.1189
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0046 0.0009 0.0009
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3301 0.6981 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0624 0.1246 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0624 0.1246 0.1246
Echinococcus granulosus twitchin 0.0253 0.0451 0.0646
Echinococcus granulosus roundabout 2 0.0265 0.0477 0.0684
Loa Loa (eye worm) AUR protein kinase 0.0624 0.1246 0.4212
Echinococcus granulosus tyrosine protein kinase otk 0.0046 0.0009 0.0012
Echinococcus granulosus defective proboscis extension response 0.0215 0.037 0.0529
Trypanosoma cruzi cytochrome P450, putative 0.0368 0.0697 0.1189
Loa Loa (eye worm) hypothetical protein 0.0143 0.0215 0.0727
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0225 0.0392 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0225 0.0392 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.1424 0.2959 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.1274 0.2639 0.8917
Schistosoma mansoni vesicular amine transporter 0.0215 0.037 0.037
Echinococcus multilocularis roundabout 2 0.0265 0.0477 0.0684
Loa Loa (eye worm) hypothetical protein 0.0215 0.037 0.1249
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Schistosoma mansoni tyrosine kinase 0.0138 0.0205 0.0205
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0138 0.0205 0.0294
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0064 0.0048 0.0162
Brugia malayi serine/threonine-protein kinase 6 0.0624 0.1246 0.4212
Loa Loa (eye worm) cytochrome P450 0.0225 0.0392 0.1324
Brugia malayi serine/threonine protein kinase 6 0.0624 0.1246 0.4212
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0225 0.0392 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1424 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.0372 0.0707 0.2389
Loa Loa (eye worm) TK/ROR protein kinase 0.0046 0.0008 0.0027
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0225 0.0392 0.5
Schistosoma mansoni septate junction protein 0.0046 0.0009 0.0009
Schistosoma mansoni cell adhesion molecule 0.0046 0.0009 0.0009
Echinococcus granulosus roundabout 2 0.005 0.0018 0.0025
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0225 0.0392 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0225 0.0392 0.5
Echinococcus multilocularis aurora kinase A 0.0624 0.1246 0.1785
Loa Loa (eye worm) cytochrome P450 family protein 0.0883 0.1802 0.609
Loa Loa (eye worm) hypothetical protein 0.0215 0.037 0.1249
Brugia malayi serine/threonine-protein kinase plk-2 0.1424 0.2959 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0009 0.0029
Mycobacterium leprae putative cytochrome p450 0.0225 0.0392 0.5
Leishmania major protein kinase, putative 0.0624 0.1246 0.3328
Mycobacterium leprae Conserved hypothetical protein 0.0225 0.0392 0.5
Echinococcus granulosus hemicentin 1 0.0046 0.0009 0.0012
Schistosoma mansoni cell adhesion molecule 0.005 0.0018 0.0018
Echinococcus granulosus fibroblast growth factor receptor 4 0.0138 0.0205 0.0294
Brugia malayi cytochrome P450 0.0225 0.0392 0.1324
Echinococcus multilocularis Immunoglobulin 0.0215 0.037 0.0529
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0046 0.0008 0.0011
Loa Loa (eye worm) hypothetical protein 0.0219 0.0379 0.128
Echinococcus multilocularis hemicentin 1 0.0046 0.0009 0.0012
Schistosoma mansoni cell adhesion molecule 0.0241 0.0426 0.0426
Loa Loa (eye worm) AUR protein kinase 0.0624 0.1246 0.4212
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0029
Trypanosoma brucei cytochrome P450, putative 0.0368 0.0697 0.1189
Loa Loa (eye worm) AUR protein kinase 0.0624 0.1246 0.4212
Brugia malayi hypothetical protein 0.0372 0.0707 0.2389
Brugia malayi Immunoglobulin I-set domain containing protein 0.0219 0.0379 0.128
Echinococcus multilocularis neuroglian 0.005 0.0018 0.0025
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0225 0.0392 0.5
Echinococcus multilocularis peroxidasin 0.0046 0.0009 0.0013
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1424 0.2959 0.4239
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1424 0.2959 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0225 0.0392 0.5
Giardia lamblia Kinase, PLK 0.1424 0.2959 1
Schistosoma mansoni serine/threonine protein kinase 0.1424 0.2959 0.2959
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0215 0.037 0.037
Trypanosoma cruzi polo-like protein kinase, putative 0.1424 0.2959 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0225 0.0392 0.5
Echinococcus granulosus Immunoglobulin 0.0215 0.037 0.0529
Brugia malayi serine/threonine kinase 12 0.0624 0.1246 0.4212

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.899 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) -5.281 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) -5.228 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) -4.863 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) -4.764 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) -4.62 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) -4.484 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

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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