Detailed information for compound 990884

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.898 | Formula: C26H17ClFN5
  • H donors: 2 H acceptors: 3 LogP: 5.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(n1)c(c1ccc(c(c1)Cl)F)c([nH]2)c1ccnc(c1)NCc1ccccc1
  • InChi: 1S/C26H17ClFN5/c27-20-12-17(6-8-21(20)28)24-25(33-22-9-7-19(14-29)32-26(22)24)18-10-11-30-23(13-18)31-15-16-4-2-1-3-5-16/h1-13,33H,15H2,(H,30,31)
  • InChiKey: NMARHRXJOFFAMY-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
Giardia lamblia UPL-1 0.1485 0.2987 0.2924
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.3436 0.697 0.6968
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0211 0.0388 0.0302
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1485 0.2987 0.2924
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.1273
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.3959 0.8038 1
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.1273
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.0542
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1485 0.2987 0.8567
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.1485 0.2987 0.2924
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.1722 0.3472 0.4982
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1485 0.2987 0.8567
Brugia malayi MTAP 0.1722 0.3472 0.3472
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.492 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.1722 0.3472 0.3467
Leishmania major methylthioadenosine phosphorylase, putative 0.1722 0.3472 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.1722 0.3472 1
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0237 0.0442 0.0356
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0065 0.0089 0.0089
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0065 0.0089 0.5
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0276 0.052 0.0512
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.1722 0.3472 0.3413
Schistosoma mansoni uridine phosphorylase 0.1485 0.2987 0.2987
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0065 0.0089 0.5
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0276 0.052 0.0435
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.3959 0.8038 1
Brugia malayi Adenine phosphoribosyltransferase 0.0065 0.0089 0.0089
Mycobacterium tuberculosis Hypothetical protein 0.1485 0.2987 0.2924
Schistosoma mansoni purine nucleoside phosphorylase 0.492 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1485 0.2987 0.2924
Toxoplasma gondii phosphorylase family protein 0.1485 0.2987 0.3646
Schistosoma mansoni methylthioadenosine phosphorylase 0.1722 0.3472 0.3472
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1485 0.2987 0.2924
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1722 0.3472 1
Leishmania major nucleoside phosphorylase-like protein 0.1485 0.2987 0.8567
Brugia malayi uridine phosphorylase family protein 0.1485 0.2987 0.2987
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Echinococcus granulosus uridine phosphorylase 1 0.1485 0.2987 0.2982
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.1273
Chlamydia trachomatis AMP nucleosidase 0.1485 0.2987 0.5
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0065 0.0089 0.0089
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.1273
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1722 0.3472 1
Echinococcus granulosus adenine phosphoribosyltransferase 0.0065 0.0089 0.0081
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0211 0.0388 0.0302
Mycobacterium ulcerans purine nucleoside phosphorylase 0.492 1 1
Loa Loa (eye worm) plexin A 0.0025 0.0008 0.0011
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1485 0.2987 0.2924
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.3959 0.8038 0.802
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.1485 0.2987 0.2924
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0276 0.052 0.0512
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0065 0.0089 0.0128
Echinococcus multilocularis methylthioadenosine phosphorylase 0.1722 0.3472 0.3467
Treponema pallidum uridine phosphorylase (udp) 0.3959 0.8038 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.0542
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0276 0.052 0.0542
Plasmodium vivax purine nucleoside phosphorylase, putative 0.3959 0.8038 1
Schistosoma mansoni uridine phosphorylase 0.1485 0.2987 0.2987
Schistosoma mansoni uracil phosphoribosyltransferase 0.0065 0.0089 0.0089
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.052
Giardia lamblia Guanine phosphoribosyltransferase 0.0276 0.052 0.0435
Plasmodium falciparum purine nucleoside phosphorylase 0.3959 0.8038 1
Leishmania major xanthine phosphoribosyltransferase 0.0276 0.052 0.1273
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.3959 0.8038 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.1273
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.3436 0.697 0.6968
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.492 1 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.1485 0.2987 0.2924
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.1485 0.2987 0.2924
Trypanosoma brucei uridine phosphorylase 0.1485 0.2987 0.8567
Loa Loa (eye worm) uridine phosphorylase 0.1485 0.2987 0.4286
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0276 0.052 0.052
Treponema pallidum pfs protein (pfs) 0.1485 0.2987 0.3646
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0065 0.0089 0.0128
Schistosoma mansoni methylthioadenosine phosphorylase 0.1485 0.2987 0.2987
Toxoplasma gondii phosphorylase family protein 0.1485 0.2987 0.3646
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.492 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.3436 0.697 0.6968
Echinococcus multilocularis purine nucleoside phosphorylase 0.492 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1485 0.2987 0.2924
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.1273
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1485 0.2987 0.8567
Schistosoma mansoni methylthioadenosine phosphorylase 0.1722 0.3472 0.3472
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1485 0.2987 0.2924
Brugia malayi plexin A 0.0025 0.0008 0.0008
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0065 0.0089 0.0089
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0276 0.052 0.0512
Echinococcus multilocularis uridine phosphorylase 1 0.1485 0.2987 0.2982
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.3959 0.8038 1
Schistosoma mansoni purine nucleoside phosphorylase 0.492 1 1
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0065 0.0089 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.1485 0.2987 0.2924
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.052
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.492 1 1
Loa Loa (eye worm) hypothetical protein 0.3436 0.697 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0276 0.052 0.0512
Echinococcus granulosus purine nucleoside phosphorylase 0.492 1 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0065 0.0089 0.0089
Mycobacterium leprae probable uridine phosphorylase 0.1485 0.2987 0.2924
Mycobacterium tuberculosis Conserved hypothetical protein 0.1485 0.2987 0.2924
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.492 1 1
Onchocerca volvulus 0.0276 0.052 0.052
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0065 0.0089 0.0089
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.3959 0.8038 0.802
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.1273
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0276 0.052 0.0435
Brugia malayi orotate phosphoribosyltransferase family protein 0.0065 0.0089 0.0089
Echinococcus granulosus uridine 5' monophosphate synthase 0.0065 0.0089 0.0081
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0065 0.0089 0.0081
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0276 0.052 0.1273
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0065 0.0089 0.0081

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5570 nM Inhibition of human c-MET ChEMBL. 21641696
IC50 (binding) = 5.57 uM Inhibition of GST-tagged human c-Met expressed in SF9 cells ChEMBL. 19269177

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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