Detailed information for compound 415203

Basic information

Technical information
  • TDR Targets ID: 415203
  • Name: N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamid e
  • MW: 328.367 | Formula: C20H16N4O
  • H donors: 3 H acceptors: 2 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2
  • InChi: 1S/C20H16N4O/c21-19-18-16(7-4-8-17(18)23-24-19)13-9-11-15(12-10-13)22-20(25)14-5-2-1-3-6-14/h1-12H,(H,22,25)(H3,21,23,24)
  • InChiKey: ZBWAOEUPXWDTQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(3-azanyl-1H-indazol-4-yl)phenyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
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 hypothetical protein 0.0169 0.0445 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0041 0.0212
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0009 0.0009
Schistosoma mansoni vesicular amine transporter 0.0049 0.0103 0.2144
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0023 0.003 0.0052
Echinococcus multilocularis Peptidase C54 0.0059 0.0132 0.1023
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0132 1
Echinococcus multilocularis cysteine protease atg4b 0.0059 0.0132 0.1023
Echinococcus multilocularis roundabout 2 0.0055 0.0121 0.094
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0094 0.1949
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0094 0.0497
Echinococcus multilocularis Immunoglobulin 0.0049 0.0103 0.0795
Leishmania major basic transcription factor 3a, putative 0.0035 0.0064 0.0139
Brugia malayi isocitrate dehydrogenase 0.0016 0.0009 0.0004
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0064 0.0139
Brugia malayi hypothetical protein 0.0049 0.0103 0.0097
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.3537 1 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0049 0.0103 0.0097
Brugia malayi intermediate filament protein 0.0027 0.0041 0.0036
Echinococcus multilocularis neuroglian 0.0052 0.0111 0.0859
Echinococcus multilocularis transcription factor btf3 0.0035 0.0064 0.0488
Loa Loa (eye worm) hypothetical protein 0.0092 0.0225 0.0225
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.139 0.3908 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.139 0.3908 1
Brugia malayi Fibronectin type III domain containing protein 0.0049 0.0103 0.0097
Echinococcus multilocularis neuropeptide s receptor 0.0462 0.1275 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0041 0.0041
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0223 0.0598 0.0598
Plasmodium falciparum cysteine protease ATG4, putative 0.0023 0.003 0.3757
Loa Loa (eye worm) hypothetical protein 0.0055 0.0121 0.0121
Schistosoma mansoni transcription factor btf3 0.0035 0.0064 0.1247
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0049 0.0103 0.2144
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0132 0.0314
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0132 0.0314
Echinococcus granulosus lamin dm0 0.0027 0.0041 0.0212
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0042
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0009 0.0004
Loa Loa (eye worm) hypothetical protein 0.0055 0.0121 0.0121
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0094 0.0089
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Brugia malayi Peptidase family C54 containing protein 0.0059 0.0132 0.0126
Onchocerca volvulus 0.0167 0.0437 0.3411
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.0132 0.281
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0005 0.0005
Schistosoma mansoni lamin 0.0027 0.0041 0.0727
Brugia malayi Phospholipase A2 family protein 0.0092 0.0225 0.022
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.0132 0.281
Onchocerca volvulus Phospholipase A2 homolog 0.0437 0.1203 1
Echinococcus multilocularis Immunoglobulin 0.0049 0.0103 0.0795
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0094 0.0728
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0064 1
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0064 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0094 0.0094
Echinococcus granulosus neuropeptide s receptor 0.0462 0.1275 0.6822
Echinococcus granulosus Peptidase C54 0.0059 0.0132 0.0698
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0049 0.0103 0.0795
Brugia malayi Immunoglobulin I-set domain containing protein 0.0223 0.0598 0.0593
Leishmania major malonyl-coa decarboxylase-like protein 0.139 0.3908 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.139 0.3908 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0062
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0009 0.0062
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0132 1
Echinococcus granulosus transcription factor btf3 0.0035 0.0064 0.0333
Echinococcus multilocularis lamin dm0 0.0027 0.0041 0.031
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0009 0.0062
Schistosoma mansoni intermediate filament proteins 0.0027 0.0041 0.0727
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0064 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0023 0.003 0.0052
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0023 0.003 0.0052
Echinococcus granulosus neuropeptide receptor A26 0.0462 0.1275 0.6822
Loa Loa (eye worm) hypothetical protein 0.0052 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0437 0.1203 0.1203
Echinococcus multilocularis musashi 0.0027 0.0041 0.031
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0023 0.003 0.3757
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0027 0.0041 0.0041
Schistosoma mansoni lamin 0.0027 0.0041 0.0727
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0064 0.0139
Entamoeba histolytica peptidase, C54 family 0.0059 0.0132 1
Echinococcus multilocularis geminin 0.0169 0.0445 0.3481
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0023 0.003 0.0052
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0062
Schistosoma mansoni nephrin 0.0052 0.0111 0.2331
Echinococcus multilocularis neuropeptide receptor A26 0.0462 0.1275 1
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0132 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0041 0.0041
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0049 0.0103 0.2144
Echinococcus multilocularis lamin 0.0027 0.0041 0.031
Schistosoma mansoni autophagin-1 (C54 family) 0.0059 0.0132 0.281
Onchocerca volvulus Tyrosine kinase homolog 0.0174 0.0458 0.3589
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0094 0.0497
Loa Loa (eye worm) hypothetical protein 0.0059 0.0132 0.0132
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0671 0.1869 1
Echinococcus granulosus twitchin 0.0052 0.0111 0.0586
Schistosoma mansoni cell adhesion molecule 0.0052 0.0113 0.2382
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0113 0.0598
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0103
Echinococcus granulosus Immunoglobulin 0.0049 0.0103 0.0542
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0132 0.0314
Echinococcus granulosus geminin 0.0169 0.0445 0.2375
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0094 0.1949
Echinococcus granulosus defective proboscis extension response 0.0049 0.0103 0.0542
Loa Loa (eye worm) hypothetical protein 0.3537 1 1
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0064 0.3326
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0009 0.5
Echinococcus granulosus neuroglian 0.0052 0.0111 0.0586
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0094 0.1949
Echinococcus granulosus lamin 0.0027 0.0041 0.0212
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0064 0.0139
Onchocerca volvulus Phospholipase A2 homolog 0.0092 0.0225 0.1586
Loa Loa (eye worm) hypothetical protein 0.0013 0.0001 0.0001
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0132 1
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0064 0.0064
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0041 0.0036
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0132 1
Schistosoma mansoni hypothetical protein 0.0169 0.0445 1
Entamoeba histolytica hypothetical protein 0.0035 0.0064 0.3326
Brugia malayi beta-NAC-like protein 0.0035 0.0064 0.0058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0094 0.0728
Loa Loa (eye worm) hypothetical protein 0.0026 0.004 0.004
Echinococcus granulosus roundabout 2 0.0055 0.0121 0.0642
Echinococcus granulosus cysteine protease atg4b 0.0059 0.0132 0.0698

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 694 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 694 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) > 12500 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) > 12500 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) > 12500 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) > 12500 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) = 12500 nM Inhibition of c-Kit by HTRF method ChEMBL. 19892442

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.