Detailed information for compound 1726417

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.489 | Formula: C27H22N4O2
  • H donors: 1 H acceptors: 4 LogP: 3.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc2c(c1)c(=O)c1cc(cnc1cc2)c1cnn(c1)C)NCc1ccccc1
  • InChi: 1S/C27H22N4O2/c1-31-17-22(16-30-31)21-13-24-25(28-15-21)10-9-20-8-7-19(11-23(20)27(24)33)12-26(32)29-14-18-5-3-2-4-6-18/h2-11,13,15-17H,12,14H2,1H3,(H,29,32)
  • InChiKey: DAOPPXODFZKNTO-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
Homo sapiens macrophage stimulating 1 receptor (c-met-related 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
Brugia malayi MH2 domain containing protein 0.0533 0.4538 1
Loa Loa (eye worm) beta-lactamase 0.0042 0.0223 0.0491
Echinococcus granulosus semaphorin 5B 0.002 0.0025 0.0005
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0335 0.1432
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0223 0.0924
Brugia malayi hypothetical protein 0.002 0.0025 0.0056
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0223 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0952 0.4241
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0227 0.1853 0.4084
Echinococcus multilocularis hypothetical protein 0.002 0.0025 0.0005
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.1075 0.4799
Onchocerca volvulus 0.0042 0.0223 0.1507
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0223 0.1484
Echinococcus granulosus lamin 0.0031 0.0128 0.0108
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0335 1
Echinococcus multilocularis musashi 0.0031 0.0128 0.0108
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0223 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0128 0.0281
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0223 0.0204
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.1075 1
Brugia malayi MH1 domain containing protein 0.002 0.0029 0.0065
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0335 0.0316
Leishmania major trypanothione reductase 0.0055 0.0335 1
Brugia malayi MH1 domain containing protein 0.0036 0.0172 0.0379
Schistosoma mansoni hypothetical protein 0.002 0.0025 0.004
Mycobacterium tuberculosis Probable reductase 0.0125 0.0952 0.4241
Schistosoma mansoni hypothetical protein 0.0072 0.0486 0.3401
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0223 0.0491
Echinococcus granulosus GPCR family 2 0.0072 0.0486 0.0467
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Mycobacterium tuberculosis Conserved protein 0.0042 0.0223 0.0924
Loa Loa (eye worm) hypothetical protein 0.0169 0.1338 0.2948
Echinococcus multilocularis smad 0.0036 0.0172 0.0153
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0952 0.4241
Schistosoma mansoni smad1 5 8 and 0.0036 0.0172 0.1111
Leishmania major hypothetical protein, conserved 0.0042 0.0223 0.6454
Echinococcus multilocularis semaphorin 5B 0.002 0.0025 0.0005
Schistosoma mansoni hypothetical protein 0.0156 0.122 0.8764
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0128 0.0281
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0223 0.0924
Onchocerca volvulus 0.0169 0.1338 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.2218 1
Plasmodium falciparum thioredoxin reductase 0.0055 0.0335 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0223 1
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0335 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0223 0.1484
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0223 0.6454
Brugia malayi beta-lactamase family protein 0.0042 0.0223 0.0491
Toxoplasma gondii thioredoxin reductase 0.0055 0.0335 1
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0223 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0223 0.0491
Echinococcus granulosus intermediate filament protein 0.0031 0.0128 0.0108
Brugia malayi hypothetical protein 0.002 0.0025 0.0056
Brugia malayi Sema domain containing protein 0.002 0.0025 0.0056
Brugia malayi MH1 domain containing protein 0.0036 0.0172 0.0379
Schistosoma mansoni hypothetical protein 0.0072 0.0486 0.3401
Toxoplasma gondii ABC1 family protein 0.0042 0.0223 0.6454
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0227 0.1853 0.4084
Trypanosoma brucei trypanothione reductase 0.0055 0.0335 1
Echinococcus granulosus smad 0.0036 0.0172 0.0153
Loa Loa (eye worm) sema domain-containing protein 0.002 0.0025 0.0056
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0223 0.0924
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Loa Loa (eye worm) plexin A 0.004 0.0208 0.0457
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.002 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.0172 0.1111
Brugia malayi beta-lactamase 0.0042 0.0223 0.0491
Echinococcus multilocularis plexin a4 0.004 0.0208 0.0188
Loa Loa (eye worm) hypothetical protein 0.0031 0.0123 0.027
Echinococcus granulosus lamin dm0 0.0031 0.0128 0.0108
Mycobacterium tuberculosis Conserved protein 0.0042 0.0223 0.0924
Echinococcus granulosus plexin a4 0.004 0.0208 0.0188
Brugia malayi MH1 domain containing protein 0.002 0.0029 0.0065
Mycobacterium ulcerans lipase LipD 0.0042 0.0223 1
Treponema pallidum NADH oxidase 0.0019 0.002 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0335 0.0737
Onchocerca volvulus 0.0042 0.0223 0.1507
Onchocerca volvulus 0.0031 0.0128 0.078
Brugia malayi Thioredoxin reductase 0.0055 0.0335 0.0737
Schistosoma mansoni smad1 5 8 and 0.0036 0.0172 0.1111
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0072 0.0486 0.0467
Brugia malayi beta-lactamase family protein 0.0042 0.0223 0.0491
Loa Loa (eye worm) hypothetical protein 0.0156 0.122 0.2689
Brugia malayi Sema domain containing protein 0.002 0.0025 0.0056
Loa Loa (eye worm) glutathione reductase 0.0055 0.0335 0.0737
Brugia malayi glutathione reductase 0.0055 0.0335 0.0737
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0223 0.0924
Brugia malayi Calcitonin receptor-like protein seb-1 0.0227 0.1853 0.4084
Mycobacterium tuberculosis Conserved protein 0.0042 0.0223 0.0924
Onchocerca volvulus 0.0031 0.0128 0.078
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0952 0.856
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0952 0.4241
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0072 0.0486 0.107
Schistosoma mansoni cellular tumor antigen P53 0.0169 0.1338 0.9622
Echinococcus multilocularis Smad4 0.0036 0.0172 0.0153
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0223 0.0924
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0065
Loa Loa (eye worm) hypothetical protein 0.0072 0.0486 0.107
Mycobacterium ulcerans hypothetical protein 0.0042 0.0223 1
Schistosoma mansoni smad1 5 8 and 0.0036 0.0172 0.1111
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0223 0.0924
Schistosoma mansoni semaphorin 5-related 0.002 0.0025 0.004
Trichomonas vaginalis esterase, putative 0.0042 0.0223 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0223 0.6454
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0223 0.6454
Schistosoma mansoni plexin 0.0032 0.0132 0.0819
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0223 1
Onchocerca volvulus 0.0032 0.0132 0.0814
Schistosoma mansoni smad 0.0036 0.0172 0.1111
Loa Loa (eye worm) hypothetical protein 0.0032 0.0132 0.0291
Brugia malayi intermediate filament protein 0.0031 0.0128 0.0281
Echinococcus multilocularis GPCR, family 2 0.0072 0.0486 0.0467
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.0172 0.0153
Loa Loa (eye worm) hypothetical protein 0.0227 0.1853 0.4084
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.1075 0.4799
Loa Loa (eye worm) latrophilin receptor protein 2 0.0072 0.0486 0.107
Brugia malayi Smad1 0.0036 0.0172 0.0379
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Brugia malayi Latrophilin receptor protein 2 0.0072 0.0486 0.107
Brugia malayi latrophilin 2 splice variant baaae 0.0156 0.122 0.2689
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0335 0.0316
Onchocerca volvulus 0.0042 0.0223 0.1507
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Brugia malayi plexin A 0.004 0.0208 0.0457
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0223 0.0204
Brugia malayi Plexin repeat family protein 0.0032 0.0132 0.0291
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.002 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0533 0.4538 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.002 0.0044
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0223 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0056
Plasmodium falciparum glutathione reductase 0.0055 0.0335 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.1075 0.4799
Schistosoma mansoni hypothetical protein 0.002 0.0025 0.004
Loa Loa (eye worm) sema domain-containing protein 0.002 0.0025 0.0056
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.0172 0.0153
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0072 0.0486 0.0467
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0223 0.0924
Schistosoma mansoni hypothetical protein 0.0072 0.0486 0.3401
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0223 0.6454
Schistosoma mansoni intermediate filament proteins 0.0031 0.0128 0.0787
Loa Loa (eye worm) hypothetical protein 0.0031 0.0128 0.0281
Schistosoma mansoni lamin 0.0031 0.0128 0.0787
Loa Loa (eye worm) hypothetical protein 0.0042 0.0223 0.0491
Mycobacterium ulcerans beta-lactamase 0.0042 0.0223 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0223 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.0172 0.0153
Schistosoma mansoni Smad4 0.0036 0.0172 0.1111
Echinococcus granulosus semaphorin 1A 0.002 0.0025 0.0005
Echinococcus multilocularis lamin dm0 0.0031 0.0128 0.0108
Schistosoma mansoni lamin 0.0031 0.0128 0.0787
Loa Loa (eye worm) nuclear factor I 0.002 0.0029 0.0065
Schistosoma mansoni hypothetical protein 0.0072 0.0486 0.3401
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0072 0.0486 0.0467
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.0172 0.0153
Loa Loa (eye worm) Smad1 0.0036 0.0172 0.0379
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0952 0.4241
Brugia malayi MH2 domain containing protein 0.0036 0.0172 0.0379
Loa Loa (eye worm) transcription factor SMAD2 0.0533 0.4538 1
Echinococcus granulosus Smad4 0.0036 0.0172 0.0153
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0072 0.0486 0.0467
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0952 0.4241
Brugia malayi MH2 domain containing protein 0.0036 0.0172 0.0379
Echinococcus multilocularis lamin 0.0031 0.0128 0.0108
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0172 0.0379
Plasmodium vivax glutathione reductase, putative 0.0055 0.0335 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0172 0.0379
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0128 0.0281

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 94 nM Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay ChEMBL. 23379595
IC50 (binding) = 2293 nM Inhibition of RON (unknown origin) by TR-FRET assay ChEMBL. 23379595

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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