Detailed information for compound 415209

Basic information

Technical information
  • TDR Targets ID: 415209
  • Name: 1-[4-[3-amino-7-[2-(2-oxopyrrolidin-1-yl)etho xy]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl )urea
  • MW: 484.55 | Formula: C27H28N6O3
  • H donors: 4 H acceptors: 3 LogP: 3.29 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1ccc(c2c1c(N)n[nH]2)OCCN1CCCC1=O
  • InChi: 1S/C27H28N6O3/c1-17-4-2-5-20(16-17)30-27(35)29-19-9-7-18(8-10-19)21-11-12-22(25-24(21)26(28)32-31-25)36-15-14-33-13-3-6-23(33)34/h2,4-5,7-12,16H,3,6,13-15H2,1H3,(H3,28,31,32)(H2,29,30,35)
  • InChiKey: LXNNTWRSZCNLBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-[3-amino-7-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-indazol-4-yl]phenyl]-3-(m-tolyl)urea
  • 1-[4-[3-amino-7-[2-(2-oxo-1-pyrrolidinyl)ethoxy]-1H-indazol-4-yl]phenyl]-3-(m-tolyl)urea
  • 1-[4-[3-azanyl-7-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
  • 1-[4-[3-amino-7-[2-(2-ketopyrrolidino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(m-tolyl)urea
  • 1-[4-[3-amino-7-[2-(2-oxo-1-pyrrolidinyl)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
  • 1-[4-[3-amino-7-[2-(2-ketopyrrolidin-1-yl)ethoxy]-1H-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 v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog 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 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 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
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) cysteine proteinase cathepsin Z 0.0128 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.097 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.097 1 1
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Onchocerca volvulus Cathepsin L homolog 0.0581 0.5756 1
Brugia malayi Cathepsin L-like precursor 0.0397 0.3758 0.3195
Onchocerca volvulus 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0581 0.5756 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0223 0.1864 0.1864
Schistosoma mansoni cathepsin C 0.0128 0.0828 0.0828
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0389 0.3665 0.3665
Onchocerca volvulus 0.0581 0.5756 1
Onchocerca volvulus 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Entamoeba histolytica cysteine proteinase, putative 0.0581 0.5756 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0312 0.2826 0.2178
Brugia malayi cathepsin L-like precursor 0.0397 0.3758 0.3195
Loa Loa (eye worm) hypothetical protein 0.0581 0.5756 0.5756
Schistosoma mansoni cathepsin F (C01 family) 0.0581 0.5756 0.5756
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0128 0.0828 0.0828
Brugia malayi Immunoglobulin I-set domain containing protein 0.0223 0.1864 0.1129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Schistosoma mansoni cathepsin F (C01 family) 0.0397 0.3758 0.3758
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0389 0.3665 0.3093
Entamoeba histolytica cysteine proteinase 2 0.0312 0.2826 0.4054
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Trypanosoma cruzi cysteine peptidase, putative 0.0581 0.5756 0.5373
Plasmodium vivax vivapain-3 0.0312 0.2826 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0312 0.2826 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Trypanosoma cruzi cysteine peptidase, putative 0.0581 0.5756 0.5373
Trypanosoma cruzi cruzipain precursor, putative 0.0183 0.1427 0.0653
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.0828 0.0828
Onchocerca volvulus 0.0581 0.5756 1
Echinococcus multilocularis cathepsin L 0.0128 0.0828 0.08
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.097 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Echinococcus granulosus cathepsin L 0.0312 0.2826 0.2826
Leishmania major cysteine peptidase A (CPA) 0.0581 0.5756 1
Plasmodium vivax unspecified product 0.0312 0.2826 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0312 0.2826 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0312 0.2826 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.097 1 1
Giardia lamblia Cathepsin B precursor 0.0389 0.3665 1
Trypanosoma cruzi cysteine peptidase, putative 0.0581 0.5756 0.5373
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Loa Loa (eye worm) ctsf protein 0.0581 0.5756 0.5756
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0312 0.2826 0.2826
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0397 0.3758 0.3195
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Echinococcus granulosus cathepsin l cysteine peptidase 0.0581 0.5756 0.5756
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Giardia lamblia Cathepsin B precursor 0.0389 0.3665 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0581 0.5756 0.5756
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.097 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0312 0.2826 0.2826
Echinococcus granulosus cathepsin L cysteine proteinase 0.0581 0.5756 0.5756
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0397 0.3758 0.5946
Brugia malayi Papain family cysteine protease containing protein 0.0312 0.2826 0.2178
Onchocerca volvulus Cathepsin L homolog 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Echinococcus granulosus cysteine protease 0.0312 0.2826 0.2826
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.1427 0.1427
Trypanosoma cruzi cysteine peptidase, putative 0.0581 0.5756 0.5373
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Brugia malayi Cathepsin L-like precursor 0.0183 0.1427 0.0653
Entamoeba histolytica cysteine proteinase, putative 0.0397 0.3758 0.5946
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0397 0.3758 0.5946
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Entamoeba histolytica cysteine proteinase, putative 0.0312 0.2826 0.4054
Plasmodium vivax vivapain-1 0.0312 0.2826 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0312 0.2826 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Brugia malayi Papain family cysteine protease containing protein 0.0581 0.5756 0.5373
Brugia malayi Cathepsin L-like precursor 0.0397 0.3758 0.3195
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0183 0.1427 0.1427
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0128 0.0828 0.0828
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0389 0.3665 0.2863
Loa Loa (eye worm) hypothetical protein 0.0397 0.3758 0.3758
Trypanosoma cruzi cysteine peptidase, putative 0.0312 0.2826 0.2178
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0581 0.5756 1
Onchocerca volvulus Cathepsin F homolog 0.0581 0.5756 1
Onchocerca volvulus 0.0167 0.1245 0.0846
Giardia lamblia Cathepsin B precursor 0.0389 0.3665 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0183 0.1427 0.0653
Loa Loa (eye worm) hypothetical protein 0.0397 0.3758 0.3758
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Entamoeba histolytica cysteine proteinase, putative 0.0312 0.2826 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0581 0.5756 0.5756
Loa Loa (eye worm) hypothetical protein 0.0397 0.3758 0.3758
Echinococcus granulosus cathepsin l1 0.0397 0.3758 0.3758
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0183 0.1427 0.0653
Echinococcus granulosus cathepsin L 0.0128 0.0828 0.0828
Trypanosoma cruzi cysteine proteinase, putative 0.0312 0.2826 0.2178
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0128 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Entamoeba histolytica cysteine protease, putative 0.0581 0.5756 1
Toxoplasma gondii cathepsin CPL 0.0581 0.5756 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0128 0.0828 0.0828
Plasmodium vivax vivapain-2 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Echinococcus multilocularis cysteine protease 0.0581 0.5756 0.5743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Loa Loa (eye worm) cathepsin B 0.0389 0.3665 0.3665
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0128 0.0828 0.0828
Onchocerca volvulus 0.0397 0.3758 0.5946
Loa Loa (eye worm) hypothetical protein 0.0183 0.1427 0.1427
Echinococcus granulosus cathepsin L cysteine protease 0.0312 0.2826 0.2826
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0312 0.2826 0.2826
Schistosoma mansoni cathepsin F (C01 family) 0.0581 0.5756 0.5756
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.0828 0.0828
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0128 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.0055 0.0031 0.0031
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.0828 0.0828
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0128 0.0828 0.0828
Echinococcus multilocularis cathepsin b 0.097 1 1
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0389 0.3665 0.5756
Entamoeba histolytica cysteine proteinase 1, putative 0.0312 0.2826 0.4054
Schistosoma mansoni cathepsin s 0.0183 0.1427 0.1427
Loa Loa (eye worm) fibroinase 0.0581 0.5756 0.5756
Echinococcus multilocularis cathepsin b 0.097 1 1
Onchocerca volvulus 0.0581 0.5756 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Onchocerca volvulus Tyrosine kinase homolog 0.0174 0.1325 0.1007
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0581 0.5756 0.5743
Trypanosoma cruzi cruzipain precursor, putative 0.0581 0.5756 0.5373
Brugia malayi Cathepsin L-like cysteine proteinase 0.0397 0.3758 0.3195
Trypanosoma cruzi cysteine protease, putative 0.0312 0.2826 0.2178
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Echinococcus multilocularis cathepsin L 0.0312 0.2826 0.2804
Plasmodium vivax unspecified product 0.0183 0.1427 0.1215
Onchocerca volvulus 0.0581 0.5756 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Echinococcus granulosus cathepsin b 0.097 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0581 0.5756 0.5743
Echinococcus granulosus roundabout 2 0.0055 0.0031 0.0031
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Leishmania major cathepsin L-like protease 0.0581 0.5756 1
Entamoeba histolytica cysteine proteinase, putative 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.0828 0.0828
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0312 0.2826 0.2178
Trypanosoma cruzi cysteine proteinase, putative 0.0312 0.2826 0.2178
Loa Loa (eye worm) hypothetical protein 0.0128 0.0828 0.0828
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Toxoplasma gondii cathepsin B 0.0389 0.3665 0.5756
Loa Loa (eye worm) hypothetical protein 0.0055 0.0031 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0581 0.5756 1
Brugia malayi Cathepsin L-like precursor 0.0581 0.5756 0.5373
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0671 0.674 0.674
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0581 0.5756 1
Echinococcus granulosus cathepsin b 0.097 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0581 0.5756 1
Onchocerca volvulus 0.0581 0.5756 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.0828 0.0828
Echinococcus multilocularis cathepsin L cysteine protease 0.0581 0.5756 0.5743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma cruzi cysteine peptidase, putative 0.0183 0.1427 0.0653
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0581 0.5756 0.5743
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0581 0.5756 1
Echinococcus multilocularis cysteine protease 0.0581 0.5756 0.5743
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0581 0.5756 1
Plasmodium vivax vivapain-2 0.0581 0.5756 1
Schistosoma mansoni cathepsin S (C01 family) 0.0128 0.0828 0.0828
Entamoeba histolytica cysteine protease, putative 0.0312 0.2826 0.4054
Loa Loa (eye worm) cysteine protease 0.0581 0.5756 0.5756
Loa Loa (eye worm) hypothetical protein 0.0183 0.1427 0.1427
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0581 0.5756 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0312 0.2826 0.4054
Echinococcus granulosus cathepsin l1 0.0581 0.5756 0.5756

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 15 nM Inhibition of FLT3 by HTRF assay ChEMBL. 17343372
IC50 (binding) = 25 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) = 25 nM Inhibition of KDR by HTRF assay ChEMBL. 17343372
IC50 (binding) = 53 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) = 53 nM Inhibition of c-Kit by HTRF assay ChEMBL. 17343372
IC50 (binding) = 53 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.