Detailed information for compound 1652535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.477 | Formula: C23H24F3N7O3
  • H donors: 4 H acceptors: 5 LogP: 0.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.CNc1ccc2c(c1)nc(o2)c1cc(cnc1N)c1cnn(c1)C1CCNCC1
  • InChi: 1S/C21H23N7O.C2HF3O2/c1-23-15-2-3-19-18(9-15)27-21(29-19)17-8-13(10-25-20(17)22)14-11-26-28(12-14)16-4-6-24-7-5-16;3-2(4,5)1(6)7/h2-3,8-12,16,23-24H,4-7H2,1H3,(H2,22,25);(H,6,7)
  • InChiKey: CXNWFRPOIBOQIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.002 0.0204 0.0233
Loa Loa (eye worm) hypothetical protein 0.002 0.0204 0.0233
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.002 0.0204 0.0204
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0055 0.1107 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0055 0.1107 0.0923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0902 0.0902
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0.1107 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0401 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0352 0.8733 0.8707
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0401 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0.1107 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1107 0.1268
Echinococcus granulosus prolyl endopeptidase 0.0055 0.1107 0.0923
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0902 0.0713
Echinococcus multilocularis geminin 0.0175 0.4186 0.4065
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0055 0.1107 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0401 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0352 0.8733 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0055 0.1107 1
Brugia malayi prolyl oligopeptidase family protein 0.0055 0.1107 0.0923
Toxoplasma gondii prolyl endopeptidase 0.0055 0.1107 0.1641
Loa Loa (eye worm) plexin A 0.0025 0.0322 0.0369
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0234 0.571 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0204 0.0233
Entamoeba histolytica hypothetical protein, conserved 0.0055 0.1107 1
Brugia malayi prolyl oligopeptidase family protein 0.0055 0.1107 0.0923
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0373 0.9286 0.9271
Echinococcus granulosus plexin a4 0.0025 0.0322 0.0121
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0055 0.1107 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0055 0.1107 0.1107
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0055 0.1107 0.1107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0902 0.0902
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0055 0.1107 1
Plasmodium falciparum peptidase, putative 0.0055 0.1107 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0401 1 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0055 0.1107 0.106
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0055 0.1107 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0352 0.8733 0.8707
Trypanosoma cruzi prolyl endopeptidase 0.0055 0.1107 0.0923
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.1107 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0204 0.0233
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0373 0.9286 0.9286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0902 0.0902
Giardia lamblia Alanyl dipeptidyl peptidase 0.0055 0.1107 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0401 1 1
Schistosoma mansoni hypothetical protein 0.0175 0.4186 0.4186
Schistosoma mansoni hypothetical protein 0.0175 0.4186 0.4186
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0373 0.9286 0.9271
Loa Loa (eye worm) hypothetical protein 0.0222 0.5398 0.6181
Brugia malayi prolyl oligopeptidase family protein 0.0055 0.1107 0.0923
Toxoplasma gondii hypothetical protein 0.0055 0.1107 0.1641
Echinococcus granulosus Dipeptidyl peptidase 9 0.0401 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0902 0.0713
Loa Loa (eye worm) hypothetical protein 0.0055 0.1107 0.1268
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0055 0.1107 0.0923
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0352 0.8733 0.8733
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0055 0.1107 0.1107
Echinococcus granulosus geminin 0.0175 0.4186 0.4065
Trypanosoma cruzi hypothetical protein, conserved 0.0055 0.1107 0.0923
Brugia malayi Plexin repeat family protein 0.0021 0.0224 0.0021
Schistosoma mansoni amine GPCR 0.0183 0.4402 0.4402
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0902 0.0713
Brugia malayi hypothetical protein 0.0179 0.429 0.4171
Loa Loa (eye worm) hypothetical protein 0.0021 0.0224 0.0257
Entamoeba histolytica prolyl oligopeptidase family protein 0.0055 0.1107 1
Plasmodium vivax hypothetical protein, conserved 0.0055 0.1107 0.5
Echinococcus multilocularis plexin a4 0.0025 0.0322 0.0121
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0902 0.0713
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0352 0.8733 0.8707
Brugia malayi plexin A 0.0025 0.0322 0.0121
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0055 0.1107 0.1107
Onchocerca volvulus 0.0021 0.0224 0.0024
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0055 0.1107 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0401 1 1
Mycobacterium tuberculosis Probable peptidase 0.0055 0.1107 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0401 1 1
Trypanosoma cruzi oligopeptidase b 0.0055 0.1107 0.0923
Trypanosoma cruzi hypothetical protein, conserved 0.0055 0.1107 0.0923
Schistosoma mansoni plexin 0.0021 0.0224 0.0224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0902 0.0713
Loa Loa (eye worm) prolyl oligopeptidase 0.0055 0.1107 0.1268
Loa Loa (eye worm) hypothetical protein 0.0179 0.429 0.4912
Trypanosoma cruzi oligopeptidase b 0.0055 0.1107 0.0923
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0055 0.1107 0.1641
Echinococcus multilocularis prolyl endopeptidase 0.0055 0.1107 0.0923
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0055 0.1107 0.0923
Echinococcus granulosus acylamino acid releasing enzyme 0.0055 0.1107 0.0923
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0352 0.8733 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0902 0.1033
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0055 0.1107 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.16 uM Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis ChEMBL. 22579487

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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