Detailed information for compound 415420

Basic information

Technical information
  • TDR Targets ID: 415420
  • Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiop hen-3-ylurea
  • MW: 349.41 | Formula: C18H15N5OS
  • H donors: 4 H acceptors: 2 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cscc1)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2
  • InChi: 1S/C18H15N5OS/c19-17-16-14(2-1-3-15(16)22-23-17)11-4-6-12(7-5-11)20-18(24)21-13-8-9-25-10-13/h1-10H,(H3,19,22,23)(H2,20,21,24)
  • InChiKey: OPVYNMNWPXOEJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-thienyl)urea
  • 1-[4-(3-azanyl-1H-indazol-4-yl)phenyl]-3-thiophen-3-yl-urea
  • 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-thiophen-3-yl-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
Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog 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
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
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
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
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0232 0.2948 0.8869
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0247 0.3183 0.5
Onchocerca volvulus 0.0167 0.1896 0.8978
Echinococcus granulosus twitchin 0.0052 0.0046 0.0046
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0052 0.0059 0.0185
Leishmania major guanosine monophosphate reductase 0.0247 0.3183 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0247 0.3183 0.3183
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0247 0.3183 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0247 0.3183 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0247 0.3183 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0223 0.2808 0.8821
Toxoplasma gondii IMP dehydrogenas 0.0247 0.3183 0.5
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0232 0.2948 0.5
Loa Loa (eye worm) IMP dehydrogenase 1 0.0247 0.3183 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0105 0.033
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0247 0.3183 0.5
Trypanosoma brucei GMP reductase 0.0247 0.3183 0.5
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0232 0.2948 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.013 0.13 0.0954
Loa Loa (eye worm) hypothetical protein 0.0055 0.0105 0.033
Loa Loa (eye worm) GMP reductase 0.0103 0.0866 0.2719
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0247 0.3183 0.5
Echinococcus granulosus neuroglian 0.0052 0.0046 0.0046
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0247 0.3183 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0103 0.0866 0.2719
Schistosoma mansoni cell adhesion molecule 0.0052 0.0059 0.0185
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0103 0.0866 0.2719
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0247 0.3183 1
Brugia malayi GMP reductase 0.0103 0.0866 0.2719
Echinococcus multilocularis roundabout 2 0.0055 0.0105 0.033
Schistosoma mansoni nephrin 0.0052 0.0046 0.0145
Echinococcus granulosus roundabout 2 0.0055 0.0105 0.0105
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0247 0.3183 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0247 0.3183 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0223 0.2808 0.8821
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0247 0.3183 1
Trypanosoma cruzi GMP reductase 0.0247 0.3183 0.5
Echinococcus multilocularis neuroglian 0.0052 0.0046 0.0145
Trypanosoma cruzi GMP reductase 0.0247 0.3183 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0247 0.3183 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0174 0.2013 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 5 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 15 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) = 15 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) = 42 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) = 42 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) = 42 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.

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