Detailed information for compound 1190931

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.866 | Formula: C22H20ClN3O3
  • H donors: 0 H acceptors: 2 LogP: 5.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2n(c1N(C(=O)c1ccco1)C)cccc2OCc1ccc(cc1)Cl
  • InChi: 1S/C22H20ClN3O3/c1-3-17-21(25(2)22(27)19-7-5-13-28-19)26-12-4-6-18(20(26)24-17)29-14-15-8-10-16(23)11-9-15/h4-13H,3,14H2,1-2H3
  • InChiKey: UNHHEHUPJRFYCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.003 0.002
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.003 0.002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0354 0.1849 0.9352
Loa Loa (eye worm) hypothetical protein 0.0048 0.0153 0.0776
Loa Loa (eye worm) hypothetical protein 0.0029 0.0049 0.0246
Loa Loa (eye worm) hypothetical protein 0.0085 0.0361 0.1827
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Schistosoma mansoni lamin 0.0084 0.0354 0.0407
Loa Loa (eye worm) hypothetical protein 0.0112 0.0509 0.2576
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0093 0.0082
Onchocerca volvulus 0.0151 0.0724 0.5579
Echinococcus multilocularis lamin 0.0084 0.0354 0.0344
Echinococcus granulosus jumonji domain containing protein 0.004 0.0111 0.0101
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0153 0.0176
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.0509 0.0499
Trichomonas vaginalis penicillin-binding protein, putative 0.0144 0.0686 0.4844
Loa Loa (eye worm) hypothetical protein 0.0037 0.0096 0.0486
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0061 0.007
Schistosoma mansoni hypothetical protein 0.0112 0.0509 0.0585
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.1092 0.5532
Loa Loa (eye worm) hypothetical protein 0.0084 0.0354 0.1791
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0004 0.0023
Echinococcus multilocularis Smad4 0.0026 0.003 0.002
Schistosoma mansoni lamin 0.0084 0.0354 0.0407
Brugia malayi Calcitonin receptor-like protein seb-1 0.0354 0.1849 0.9352
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0148 0.0859
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0232 0.0222
Echinococcus multilocularis peregrin 0.0035 0.0082 0.0072
Leishmania major hypothetical protein, conserved 0.0144 0.0686 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0093 0.0469
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0035
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.003 0.002
Trichomonas vaginalis penicillin-binding protein, putative 0.0144 0.0686 0.4844
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0111 0.0101
Echinococcus granulosus lamin dm0 0.0084 0.0354 0.0344
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0035
Schistosoma mansoni smad 0.0026 0.003 0.0035
Echinococcus multilocularis GPCR, family 2 0.0112 0.0509 0.0499
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.001 0.0012
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.003 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0354 0.1849 0.9362
Brugia malayi jmjC domain containing protein 0.0095 0.0413 0.1969
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.0509 0.0499
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Echinococcus granulosus intermediate filament protein 0.0084 0.0354 0.0344
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.0739 0.0851
Loa Loa (eye worm) kinesin-like protein KLP2 0.0237 0.1202 0.6087
Loa Loa (eye worm) hypothetical protein 0.0085 0.0361 0.1827
Trichomonas vaginalis set domain proteins, putative 0.0247 0.1258 1
Schistosoma mansoni eyes absent homolog 0.0085 0.0361 0.0415
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0153 0.0176
Onchocerca volvulus 0.0247 0.1258 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.014 0.0708
Echinococcus multilocularis lamin dm0 0.0084 0.0354 0.0344
Loa Loa (eye worm) beta-lactamase 0.0144 0.0686 0.3473
Echinococcus multilocularis musashi 0.0084 0.0354 0.0344
Echinococcus granulosus zinc finger protein 0.0023 0.0015 0.0004
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0049 0.0038
Loa Loa (eye worm) hypothetical protein 0.0198 0.0987 0.5001
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.0686 0.4844
Loa Loa (eye worm) hypothetical protein 0.0039 0.0104 0.0529
Brugia malayi PHD-finger family protein 0.0029 0.0049 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.0144 0.0686 0.5
Mycobacterium leprae Probable lipase LipE 0.0144 0.0686 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0148 0.0859
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0041 0.0113 0.0103
Schistosoma mansoni intermediate filament proteins 0.0084 0.0354 0.0407
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0114 0.057
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.003 0.0154
Toxoplasma gondii ABC1 family protein 0.0144 0.0686 0.5525
Schistosoma mansoni hypothetical protein 0.0112 0.0509 0.0585
Brugia malayi PHD-finger family protein 0.0028 0.0044 0.0068
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0061 0.0107
Brugia malayi hypothetical protein 0.0151 0.0724 0.3565
Onchocerca volvulus 0.0084 0.0354 0.2522
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.0509 0.2459
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0093 0.0107
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0413 0.0403
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0061 0.0051
Echinococcus multilocularis smad 0.0026 0.003 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.0144 0.0686 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0144 0.0686 0.0789
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0041 0.0113 0.0103
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.0509 0.0499
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0093 0.0107
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.0739 0.073
Loa Loa (eye worm) intermediate filament protein 0.0084 0.0354 0.1791
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0114 0.057
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Onchocerca volvulus 0.0144 0.0686 0.5266
Brugia malayi Intermediate filament tail domain containing protein 0.0084 0.0354 0.1663
Loa Loa (eye worm) hypothetical protein 0.0242 0.1228 0.6221
Brugia malayi MH2 domain containing protein 0.0376 0.1974 1
Echinococcus granulosus lamin 0.0084 0.0354 0.0344
Loa Loa (eye worm) hypothetical protein 0.0039 0.0104 0.0529
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.003 0.0154
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.0686 0.4844
Loa Loa (eye worm) hypothetical protein 0.005 0.0163 0.0826
Echinococcus multilocularis beta LACTamase domain containing family member 0.0144 0.0686 0.0676
Mycobacterium leprae conserved hypothetical protein 0.0144 0.0686 0.5
Brugia malayi beta-lactamase family protein 0.0144 0.0686 0.3371
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.0686 0.4844
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0153 0.0143
Brugia malayi cytoplasmic intermediate filament protein 0.0045 0.0138 0.0551
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.4237 0.4231
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0083 0.0073
Brugia malayi Bromodomain containing protein 0.0041 0.0116 0.0441
Loa Loa (eye worm) Smad1 0.0026 0.003 0.0154
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0144 0.0686 0.3473
Echinococcus multilocularis kinesin family 1 0.1824 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0082 0.0072
Onchocerca volvulus 0.0144 0.0686 0.5266
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.0703 0.0694
Toxoplasma gondii kinesin motor domain-containing protein 0.0237 0.1202 1
Plasmodium vivax kinesin-5 0.0237 0.1202 1
Mycobacterium ulcerans hypothetical protein 0.0144 0.0686 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0572
Brugia malayi beta-lactamase family protein 0.0144 0.0686 0.3371
Plasmodium vivax hypothetical protein, conserved 0.0144 0.0686 0.5525
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Giardia lamblia Kinesin-5 0.0237 0.1202 1
Brugia malayi jmjC domain containing protein 0.0037 0.0093 0.032
Entamoeba histolytica kinesin, putative 0.0237 0.1202 1
Schistosoma mansoni hypothetical protein 0.0029 0.0049 0.0056
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0144 0.0686 0.5
Mycobacterium ulcerans lipase LipD 0.0144 0.0686 0.5
Brugia malayi hypothetical protein 0.0085 0.0361 0.17
Echinococcus multilocularis zinc finger protein 0.0023 0.0015 0.0004
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.003 0.002
Trypanosoma brucei hypothetical protein, conserved 0.0144 0.0686 0.5
Brugia malayi Bromodomain containing protein 0.0077 0.0315 0.1463
Loa Loa (eye worm) hypothetical protein 0.0082 0.0345 0.1748
Echinococcus granulosus Smad4 0.0026 0.003 0.002
Onchocerca volvulus 0.0198 0.0987 0.776
Echinococcus granulosus GPCR family 2 0.0112 0.0509 0.0499
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0084 0.0354 0.1791
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0232 0.0222
Loa Loa (eye worm) acetyltransferase 0.0154 0.0739 0.3745
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0144 0.0686 0.3371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0144 0.0686 0.0789
Echinococcus granulosus peregrin 0.0035 0.0082 0.0072
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0219 0.111
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0148 0.0859
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0045 0.0138 0.0697
Schistosoma mansoni bromodomain containing protein 0.0066 0.0251 0.0289
Loa Loa (eye worm) MH2 domain-containing protein 0.0376 0.1974 1
Brugia malayi intermediate filament protein 0.0084 0.0354 0.1663
Schistosoma mansoni hypothetical protein 0.0242 0.1228 0.1414
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0061 0.007
Schistosoma mansoni hypothetical protein 0.1587 0.8686 1
Loa Loa (eye worm) transcription factor SMAD2 0.0376 0.1974 1
Onchocerca volvulus 0.0144 0.0686 0.5266
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0049 0.0038
Echinococcus granulosus tumor protein p63 0.1355 0.7398 0.7395
Brugia malayi Bromodomain containing protein 0.0035 0.0082 0.0265
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0305 0.0352
Brugia malayi Pre-SET motif family protein 0.0031 0.0061 0.0157
Mycobacterium ulcerans esterase/lipase LipP 0.0144 0.0686 0.5
Schistosoma mansoni hypothetical protein 0.0112 0.0509 0.0585
Schistosoma mansoni cellular tumor antigen P53 0.0198 0.0987 0.1137
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0049 0.0246
Brugia malayi Kinesin motor domain containing protein 0.0237 0.1202 0.6026
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.0739 0.3648
Schistosoma mansoni hypothetical protein 0.0112 0.0509 0.0585
Echinococcus multilocularis tumor protein p63 0.1355 0.7398 0.7395
Echinococcus granulosus beta LACTamase domain containing family member 0.0144 0.0686 0.0676
Loa Loa (eye worm) hypothetical protein 0.0151 0.0724 0.3665
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0919 0.4983 1
Mycobacterium ulcerans beta-lactamase 0.0144 0.0686 0.5
Brugia malayi Latrophilin receptor protein 2 0.0112 0.0509 0.2459
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0035
Brugia malayi beta-lactamase 0.0144 0.0686 0.3371
Onchocerca volvulus 0.0084 0.0354 0.2522
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.0655
Brugia malayi Pre-SET motif family protein 0.0217 0.1092 0.5462
Loa Loa (eye worm) hypothetical protein 0.0354 0.1849 0.9362
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0055 0.0044
Brugia malayi latrophilin 2 splice variant baaae 0.0242 0.1228 0.6162
Schistosoma mansoni kinesin eg-5 0.0237 0.1202 0.1384
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0083 0.0073
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.0509 0.0499
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0148 0.0137
Loa Loa (eye worm) hypothetical protein 0.0144 0.0686 0.3473
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.0509 0.2576
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0153 0.0143
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0049 0.0056
Loa Loa (eye worm) hypothetical protein 0.0069 0.0271 0.1374
Echinococcus granulosus smad 0.0026 0.003 0.002
Onchocerca volvulus 0.0031 0.0061 0.0102
Plasmodium vivax SET domain protein, putative 0.0031 0.0061 0.0107
Trichomonas vaginalis esterase, putative 0.0144 0.0686 0.4844
Plasmodium falciparum kinesin-5 0.0237 0.1202 1
Schistosoma mansoni Smad4 0.0026 0.003 0.0035
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0413 0.0403
Schistosoma mansoni zinc finger protein 0.0023 0.0015 0.0017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.