Detailed information for compound 416649

Basic information

Technical information
  • TDR Targets ID: 416649
  • Name: 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3- (3-methylphenyl)urea
  • MW: 371.435 | Formula: C22H21N5O
  • H donors: 3 H acceptors: 2 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1cccc2c1c(N)nn2C
  • InChi: 1S/C22H21N5O/c1-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
  • InChiKey: KXGKWKJLQVNQML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(3-amino-1-methyl-indazol-4-yl)phenyl]-3-(m-tolyl)urea
  • 1-[4-(3-amino-1-methyl-4-indazolyl)phenyl]-3-(m-tolyl)urea
  • 1-[4-(3-azanyl-1-methyl-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase 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
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0203 0.1249 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1416 1 1
Echinococcus multilocularis roundabout 2 0.0036 0.0047 0.0047
Entamoeba histolytica hypothetical protein, conserved 0.1416 1 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.014 0.1119
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1416 1 1
Schistosoma mansoni cell adhesion molecule 0.0034 0.0026 0.0026
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.014 0.014
Trichomonas vaginalis conserved hypothetical protein 0.1416 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.1416 1 1
Giardia lamblia Rrm3p helicase 0.1416 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0095
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1416 1 1
Brugia malayi Cytochrome P450 family protein 0.0048 0.0127 0.1014
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.014 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0127 0.1014
Echinococcus granulosus neuroglian 0.0033 0.0021 0.0021
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.1416 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0377
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0034 0.0026 0.0026
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.014 0.014
Schistosoma mansoni hypothetical protein 0.1416 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0203 0.1249 1
Echinococcus granulosus roundabout 2 0.0036 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0377
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1416 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0212
Entamoeba histolytica DNA repair and recombination protein, putative 0.1416 1 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.014 0.014
Brugia malayi MAP kinase sur-1 0.0049 0.014 0.1119
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.1416 1 1
Brugia malayi Probable ATP-dependent helicase DHX35 0.0032 0.0012 0.0095
Schistosoma mansoni nephrin 0.0033 0.0021 0.0021
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.014 0.014
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.1416 1 1
Echinococcus multilocularis neuroglian 0.0033 0.0021 0.0021
Echinococcus granulosus twitchin 0.0033 0.0024 0.0024
Loa Loa (eye worm) DEAH box polypeptide 35 0.0032 0.0012 0.0095
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.1027 1

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 19.8 microM.hr AUC in CD1 mouse at 10 mg/kg, po ChEMBL. 17343372
AUC (ADMET) = 19.8 microM.hr AUC in CD1 mouse at 10 mg/kg, po ChEMBL. 17343372
ED50 (functional) = 3 mg kg-1 Inhibition of estradiol-stimulated fluid content in Balb/c mouse uterus ChEMBL. 17343372
ED50 (functional) = 3 mg kg-1 Inhibition of estradiol-stimulated fluid content in Balb/c mouse uterus ChEMBL. 17343372
F (ADMET) = 89 % Oral bioavailability in CD1 mouse ChEMBL. 17343372
F (ADMET) = 89 % Oral bioavailability in CD1 mouse ChEMBL. 17343372
IC50 (binding) = 8 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 8 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 11 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) = 11 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (functional) = 23 nM Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA ChEMBL. 17343372
IC50 (functional) = 23 nM Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA ChEMBL. 17343372
Inhibition (functional) = 69 % Inhibition of tumor growth in human HT1080 cells xenografated in SCID-beige mouse at 10 mg/kg, po ChEMBL. 17343372
Inhibition (functional) = 69 % Inhibition of tumor growth in human HT1080 cells xenografated in SCID-beige mouse at 10 mg/kg, po ChEMBL. 17343372

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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