Detailed information for compound 424321

Basic information

Technical information
  • TDR Targets ID: 424321
  • Name: bis(5-amino-1-benzofuran-2-yl)methanone
  • MW: 292.289 | Formula: C17H12N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.38 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)cc(o2)C(=O)c1cc2c(o1)ccc(c2)N
  • InChi: 1S/C17H12N2O3/c18-11-1-3-13-9(5-11)7-15(21-13)17(20)16-8-10-6-12(19)2-4-14(10)22-16/h1-8H,18-19H2
  • InChiKey: UMBJVNBINWLZLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • bis(5-aminobenzofuran-2-yl)methanone
  • bis(5-amino-2-benzofuranyl)methanone
  • bis(5-azanyl-1-benzofuran-2-yl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References

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
Echinococcus granulosus Glycosyl transferase family 35 0.01 0.1205 0.1227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0086 0.0953 0.0971
Echinococcus granulosus glycogen phosphorylase 0.01 0.1205 0.1227
Schistosoma mansoni neuroligin 3 (S09 family) 0.0071 0.0684 0.0697
Loa Loa (eye worm) hypothetical protein 0.0041 0.0151 0.0154
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0122 0.1605 0.4631
Loa Loa (eye worm) hypothetical protein 0.0037 0.0082 0.0083
Echinococcus multilocularis acetylcholinesterase 0.0419 0.6953 0.7082
Schistosoma mansoni cell adhesion molecule 0.0037 0.0082 0.0083
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0092 0.1058 1
Echinococcus multilocularis dihydrofolate reductase 0.0092 0.1058 0.1078
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0122 0.1605 0.4631
Loa Loa (eye worm) ryanodine receptor 0.008 0.0846 0.0862
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Entamoeba histolytica hypothetical protein 0.0167 0.2423 0.2423
Echinococcus multilocularis ryanodine receptor 44f 0.0274 0.4339 0.442
Schistosoma mansoni tar DNA-binding protein 0.0054 0.039 0.0397
Schistosoma mansoni gamma-secretase subunit aph-1 0.0578 0.9818 1
Echinococcus multilocularis neuroligin 0.0071 0.0684 0.0697
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.0684 0.0697
Loa Loa (eye worm) carboxylesterase 0.0419 0.6953 0.7082
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0035 0.004 0.0442
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0035 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0419 0.6953 0.7082
Schistosoma mansoni tar DNA-binding protein 0.0054 0.039 0.0397
Schistosoma mansoni glycogen phosphorylase 0.01 0.1205 0.1227
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0037 0.0082 0.0083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0118 0.012
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0071 0.0684 0.0697
Trypanosoma brucei Aph-1 protein, putative 0.0225 0.3465 1
Loa Loa (eye worm) glycogen phosphorylase 0.01 0.1205 0.1227
Schistosoma mansoni gliotactin 0.0071 0.0684 0.0697
Brugia malayi Dihydrofolate reductase 0.0092 0.1058 0.1078
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Echinococcus granulosus tar DNA binding protein 0.0054 0.039 0.0397
Trichomonas vaginalis glycogen phosphorylase, putative 0.01 0.1205 1
Echinococcus multilocularis glycogen phosphorylase 0.01 0.1205 0.1227
Brugia malayi Immunoglobulin I-set domain containing protein 0.004 0.0136 0.0138
Loa Loa (eye worm) carboxylesterase 0.0071 0.0684 0.0697
Echinococcus granulosus neuroligin 0.0071 0.0684 0.0697
Loa Loa (eye worm) hypothetical protein 0.0214 0.3255 0.3315
Schistosoma mansoni tar DNA-binding protein 0.0054 0.039 0.0397
Echinococcus multilocularis BC026374 protein (S09 family) 0.0071 0.0684 0.0697
Brugia malayi Calcitonin receptor-like protein seb-1 0.0086 0.0953 0.0971
Schistosoma mansoni vesicular amine transporter 0.0035 0.0038 0.0039
Echinococcus granulosus glycogen phosphorylase 0.01 0.1205 0.1227
Loa Loa (eye worm) TAR-binding protein 0.0054 0.039 0.0397
Entamoeba histolytica glycogen phosphorylase, putative 0.01 0.1205 0.1205
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.0684 0.0697
Brugia malayi Carboxylesterase family protein 0.0071 0.0684 0.0697
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0118 0.012
Schistosoma mansoni hypothetical protein 0.0059 0.0465 0.0473
Trichomonas vaginalis glycogen phosphorylase, putative 0.01 0.1205 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.004 0.0136 0.0138
Loa Loa (eye worm) hypothetical protein 0.0059 0.0465 0.0473
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0035 0.004 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0071 0.0684 0.0697
Echinococcus granulosus gamma secretase subunit aph 1 0.0578 0.9818 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0118 0.012
Trypanosoma cruzi Aph-1 protein, putative 0.0225 0.3465 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0092 0.1058 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0071 0.0684 0.5712
Loa Loa (eye worm) hypothetical protein 0.0193 0.2887 0.2941
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0054 0.039 0.0397
Leishmania major hypothetical protein, conserved 0.0083 0.0902 1
Echinococcus multilocularis ryanodine receptor 44f 0.0214 0.3255 0.3315
Echinococcus multilocularis glycogen phosphorylase 0.01 0.1205 0.1227
Echinococcus multilocularis Glycosyl transferase, family 35 0.01 0.1205 0.1227
Trichomonas vaginalis spcc417.12 protein, putative 0.0071 0.0684 0.5679
Echinococcus multilocularis carboxylesterase 5A 0.0419 0.6953 0.7082
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0041 0.0151 0.0154
Loa Loa (eye worm) hypothetical protein 0.0419 0.6953 0.7082
Brugia malayi TAR-binding protein 0.0054 0.039 0.0397
Brugia malayi cation channel family protein 0.0145 0.2012 0.205
Echinococcus granulosus roundabout 2 0.0037 0.0082 0.0083
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0071 0.0684 0.5712
Echinococcus granulosus acetylcholinesterase 0.0419 0.6953 0.7082
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0039 0.0118 0.012
Onchocerca volvulus Glycogen phosphorylase homolog 0.01 0.1205 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Brugia malayi Carboxylesterase family protein 0.0419 0.6953 0.7082
Schistosoma mansoni hypothetical protein 0.0083 0.0911 0.0928
Echinococcus granulosus acetylcholinesterase 0.0419 0.6953 0.7082
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0167 0.2423 0.2423
Schistosoma mansoni BC026374 protein (S09 family) 0.0071 0.0684 0.0697
Loa Loa (eye worm) hypothetical protein 0.0086 0.0953 0.0971
Brugia malayi latrophilin 2 splice variant baaae 0.0059 0.0465 0.0473
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0086 0.0953 0.0971
Entamoeba histolytica glycogen phosphorylase, putative 0.01 0.1205 0.1205
Entamoeba histolytica glycogen phosphorylase, putative 0.0043 0.0186 0.0186
Mycobacterium tuberculosis Carboxylesterase LipT 0.0071 0.0684 0.5712
Loa Loa (eye worm) hypothetical protein 0.0062 0.052 0.053
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Brugia malayi RNA recognition motif domain containing protein 0.0054 0.039 0.0397
Mycobacterium ulcerans carboxylesterase, LipT 0.0071 0.0684 0.5712
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0092 0.1058 1
Echinococcus granulosus carboxylesterase 5A 0.0419 0.6953 0.7082
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0035 0.004 0.0115
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0039 0.0118 0.012
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0035 0.004 1
Brugia malayi Carboxylesterase family protein 0.0071 0.0684 0.0697
Loa Loa (eye worm) hypothetical protein 0.0193 0.2887 0.2941
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0035 0.004 0.0115
Loa Loa (eye worm) ryanodine receptor 0.0126 0.1684 0.1715
Schistosoma mansoni dihydrofolate reductase 0.0092 0.1058 0.1078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0118 0.012
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0071 0.0684 0.5679
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0419 0.6953 0.7082
Brugia malayi carbohydrate phosphorylase 0.01 0.1205 0.1227
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Echinococcus multilocularis tar DNA binding protein 0.0054 0.039 0.0397
Chlamydia trachomatis glycogen phosphorylase 0.01 0.1205 1
Schistosoma mansoni tar DNA-binding protein 0.0054 0.039 0.0397
Echinococcus multilocularis gamma secretase subunit aph 1 0.0578 0.9818 1
Loa Loa (eye worm) RNA binding protein 0.0054 0.039 0.0397
Echinococcus granulosus dihydrofolate reductase 0.0092 0.1058 0.1078
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0039 0.0112 0.0114
Schistosoma mansoni glycogen phosphorylase 0.0043 0.0186 0.0189
Schistosoma mansoni ryanodine receptor related 0.0338 0.5498 0.56
Loa Loa (eye worm) hypothetical protein 0.0064 0.0568 0.0579
Loa Loa (eye worm) acetylcholinesterase 1 0.0419 0.6953 0.7082
Echinococcus multilocularis acetylcholinesterase 0.0419 0.6953 0.7082
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0103 0.1271 0.1294
Loa Loa (eye worm) hypothetical protein 0.0071 0.0684 0.0697
Brugia malayi dihydrofolate reductase family protein 0.0092 0.1058 0.1078
Loa Loa (eye worm) carboxylesterase 0.0071 0.0684 0.0697
Entamoeba histolytica glycogenphosphorylase, putative 0.0043 0.0186 0.0186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0118 0.012
Entamoeba histolytica glycogen phosphorylase, putative 0.0043 0.0186 0.0186
Schistosoma mansoni acetylcholinesterase 0.0071 0.0684 0.0697
Schistosoma mansoni tar DNA-binding protein 0.0054 0.039 0.0397
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0578 0.9818 1
Trypanosoma brucei RNA helicase, putative 0.0098 0.1179 0.3402
Brugia malayi RNA binding protein 0.0054 0.039 0.0397
Brugia malayi Carboxylesterase family protein 0.0071 0.0684 0.0697
Giardia lamblia DNA repair protein RAD52 0.0588 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0118 0.012
Echinococcus granulosus para nitrobenzyl esterase 0.0071 0.0684 0.0697
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0338 0.5498 0.56
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0118 0.012
Brugia malayi hypothetical protein 0.0071 0.0684 0.0697
Loa Loa (eye worm) dihydrofolate reductase 0.0092 0.1058 0.1078
Brugia malayi gamma-secretase subunit aph-1 0.0578 0.9818 1
Brugia malayi Carboxylesterase family protein 0.0071 0.0684 0.0697
Echinococcus granulosus BC026374 protein S09 family 0.0071 0.0684 0.0697
Echinococcus granulosus ryanodine receptor 44f 0.0274 0.4339 0.442
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0071 0.0684 0.0697
Echinococcus multilocularis roundabout 2 0.0037 0.0082 0.0083
Brugia malayi Carboxylesterase family protein 0.0419 0.6953 0.7082
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.0684 0.0697
Loa Loa (eye worm) hypothetical protein 0.0037 0.0082 0.0083
Schistosoma mansoni glycogen phosphorylase 0.01 0.1205 0.1227
Trypanosoma cruzi Aph-1 protein, putative 0.0225 0.3465 1
Echinococcus granulosus ryanodine receptor 44f 0.0214 0.3255 0.3315
Schistosoma mansoni hypothetical protein 0.0098 0.1179 0.1201
Loa Loa (eye worm) hypothetical protein 0.0037 0.0082 0.0083

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.6 uM Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells ChEMBL. 17210255
IC50 (binding) = 0.6 uM Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells ChEMBL. 17210255
IC50 (binding) = 1.2 uM Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts ChEMBL. 17210255
IC50 (binding) = 1.2 uM Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts ChEMBL. 17210255

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

1 literature reference was collected for this gene.

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