Detailed information for compound 206040

Basic information

Technical information
  • TDR Targets ID: 206040
  • Name: 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-in dol-2-yl]-1H-quinolin-2-one
  • MW: 430.499 | Formula: C25H26N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1CCN(CC1)CCOc1ccc2c(c1)cc([nH]2)c1cc2ccccc2nc1O
  • InChi: 1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31)
  • InChiKey: PNAKABLUPFQYPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[5-[2-(4-acetyl-1-piperazinyl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
  • 3-[5-[2-(4-ethanoylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
  • 3-[5-[2-(4-acetylpiperazino)ethoxy]-1H-indol-2-yl]carbostyril
  • 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]carbostyril
  • indolyl quinolinone deriv. 7

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0013 0.0013
Echinococcus granulosus neuroglian 0.0014 0.0023 0.001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.0023
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0409 0.1386 0.5
Plasmodium falciparum purine nucleoside phosphorylase 0.0409 0.1386 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Mycobacterium tuberculosis Conserved hypothetical protein 0.0409 0.1386 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0409 0.1386 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0409 0.1386 0.5
Echinococcus granulosus methylthioadenosine phosphorylase 0.0409 0.1386 0.1375
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0409 0.1386 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus roundabout 2 0.0018 0.0035 0.0023
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0409 0.1386 0.5
Mycobacterium leprae probable uridine phosphorylase 0.2904 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0409 0.1386 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.0604 0.0592
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0025 0.0013
Schistosoma mansoni purine nucleoside phosphorylase 0.0409 0.1386 0.1386
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0409 0.1386 0.5
Toxoplasma gondii phosphorylase family protein 0.0409 0.1386 0.5
Entamoeba histolytica hypothetical protein 0.0409 0.1386 0.5
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0409 0.1386 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0409 0.1386 0.5
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0409 0.1386 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0409 0.1386 0.5
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0409 0.1386 0.1375
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0409 0.1386 0.5
Schistosoma mansoni methylthioadenosine phosphorylase 0.0409 0.1386 0.1386
Leishmania major methylthioadenosine phosphorylase, putative 0.0409 0.1386 0.5
Loa Loa (eye worm) uridine phosphorylase 0.2904 1 1
Echinococcus multilocularis roundabout 2 0.0018 0.0035 0.0023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.0023
Mycobacterium tuberculosis Hypothetical protein 0.0409 0.1386 0.5
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Schistosoma mansoni methylthioadenosine phosphorylase 0.0409 0.1386 0.1386
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Treponema pallidum uridine phosphorylase (udp) 0.0409 0.1386 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Brugia malayi MTAP 0.0409 0.1386 0.1375
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0409 0.1386 0.1375
Schistosoma mansoni vesicular amine transporter 0.0011 0.0013 0.0013
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0013 0.0013
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.0563 0.0161
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Chlamydia trachomatis AMP nucleosidase 0.0409 0.1386 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Echinococcus multilocularis neuroglian 0.0014 0.0023 0.001
Schistosoma mansoni purine nucleoside phosphorylase 0.0409 0.1386 0.1386
Toxoplasma gondii Purine nucleoside phosphorylase 0.0409 0.1386 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0604 0.0592
Schistosoma mansoni cell adhesion molecule 0.0015 0.0025 0.0025
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Leishmania major nucleoside phosphorylase-like protein 0.0409 0.1386 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0409 0.1386 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Schistosoma mansoni nephrin 0.0014 0.0023 0.0023
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Echinococcus multilocularis uridine phosphorylase 1 0.2904 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0025 0.0013
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0409 0.1386 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0409 0.1386 0.1375
Echinococcus granulosus uridine phosphorylase 1 0.2904 1 1
Echinococcus granulosus twitchin 0.0014 0.0023 0.001
Trypanosoma brucei uridine phosphorylase 0.0409 0.1386 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0409 0.1386 0.5
Treponema pallidum pfs protein (pfs) 0.0409 0.1386 0.5
Toxoplasma gondii phosphorylase family protein 0.0409 0.1386 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0409 0.1386 0.1375
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0409 0.1386 0.5
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0409 0.1386 0.5
Schistosoma mansoni uridine phosphorylase 0.2904 1 1
Schistosoma mansoni uridine phosphorylase 0.2904 1 1
Giardia lamblia UPL-1 0.0409 0.1386 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0409 0.1386 0.5
Schistosoma mansoni methylthioadenosine phosphorylase 0.0409 0.1386 0.1386

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 7.8 ml min-1 kg-1 Plasma clearance of the compound in dogs ChEMBL. 14698157
IC50 (binding) = 4 nM Inhibition of VEGF receptor 2 mediated phosphorylation of poly-Glu/Tyr (4:1) ChEMBL. 14698157
IC50 (functional) = 4 nM Compound was tested for the inhibition of VEGF-stimulated mitogenesis as determined in human umbilical vein endothelial cells ChEMBL. 14698157
IC50 (binding) = 4 nM Inhibition of VEGF receptor 2 mediated phosphorylation of poly-Glu/Tyr (4:1) ChEMBL. 14698157
IP (binding) = 520 nM Affinity for HERG voltage-gated potassium channel subunit Kv11.1 ChEMBL. 14698157
IP (binding) = 520 nM Affinity for HERG voltage-gated potassium channel subunit Kv11.1 ChEMBL. 14698157
logP (ADMET) = 3.2 Partition coefficient (logP) ChEMBL. 14698157
T1/2 (ADMET) = 2.2 hr Half life of the compound in dog plasma ChEMBL. 14698157

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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