Detailed information for compound 271380

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.368 | Formula: C20H17N3O
  • H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCc2c(N1)ccc(c2)/C(=C/n1cncc1)/c1ccccc1
  • InChi: 1S/C20H17N3O/c24-20-9-7-17-12-16(6-8-19(17)22-20)18(13-23-11-10-21-14-23)15-4-2-1-3-5-15/h1-6,8,10-14H,7,9H2,(H,22,24)/b18-13+
  • InChiKey: ATWFGUJMNRJUCB-QGOAFFKASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0384 0.066
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0066 0.0434 0.0727
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0057 0.0322 0.0322
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0057 0.0322 0.0322
Echinococcus granulosus Immunoglobulin 0.0046 0.0182 0.0352
Brugia malayi Fibronectin type III domain containing protein 0.0217 0.2435 0.4447
Echinococcus granulosus roundabout 2 0.0283 0.3299 0.6383
Brugia malayi hypothetical protein 0.012 0.1145 0.205
Onchocerca volvulus 0.0051 0.0246 0.1819
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0351 0.5
Entamoeba histolytica protein kinase, putative 0.005 0.0225 0.5
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Schistosoma mansoni septate junction protein 0.0046 0.0182 0.0264
Loa Loa (eye worm) RNA binding protein 0.0062 0.0384 0.0634
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0217 0.2435 0.4662
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0052 0.025 0.0384
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0046 0.0182 0.0352
Loa Loa (eye worm) TK protein kinase 0.005 0.0225 0.0338
Schistosoma mansoni nephrin related 0.0046 0.0182 0.0264
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0258
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Schistosoma mansoni neuroglian 0.0066 0.0434 0.0756
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0384 0.066
Schistosoma mansoni nephrin 0.0066 0.0434 0.0756
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0066 0.0434 0.0756
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0285 0.3321 0.6095
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0217 0.2435 0.2435
Echinococcus granulosus Immunoglobulin 0.0046 0.0182 0.0352
Echinococcus multilocularis Immunoglobulin 0.0217 0.2435 0.2435
Loa Loa (eye worm) hypothetical protein 0.012 0.1145 0.205
Echinococcus multilocularis Immunoglobulin 0.0046 0.0182 0.0182
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0.0274 0.0274
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0384 0.0634
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0182 0.0258
Echinococcus granulosus tyrosine protein kinase Src42A 0.0057 0.0322 0.0623
Echinococcus granulosus tyrosine protein kinase Src64B 0.0057 0.0322 0.0623
Echinococcus multilocularis netrin receptor unc 5 0.0046 0.0182 0.0182
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0264 0.3047 0.5895
Echinococcus multilocularis aryl hydrocarbon receptor 0.0052 0.025 0.025
Brugia malayi hypothetical protein 0.0217 0.2435 0.4447
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0384 0.066
Schistosoma mansoni cell adhesion molecule 0.0066 0.0434 0.0756
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0182 0.0258
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0057 0.0322 0.0322
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0351 0.5
Echinococcus granulosus Immunoglobulin subtype 0.0046 0.0182 0.0352
Echinococcus multilocularis neuroglian 0.0237 0.2687 0.2687
Brugia malayi protein-tyrosine kinase 0.0053 0.0274 0.043
Echinococcus granulosus roundabout 2 0.0066 0.0434 0.084
Loa Loa (eye worm) hypothetical protein 0.0283 0.3299 0.6054
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0036 0.0047 0.0006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Echinococcus granulosus fibroblast growth factor receptor 4 0.0425 0.5169 1
Brugia malayi basement membrane proteoglycan precursor 0.0046 0.0182 0.0258
Schistosoma mansoni peroxidasin 0.0046 0.0182 0.0264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0182 0.0258
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0046 0.0182 0.0182
Brugia malayi basement membrane proteoglycan 0.0046 0.0182 0.0258
Schistosoma mansoni tyrosine kinase 0.0086 0.0708 0.1292
Echinococcus multilocularis peroxidasin 0.0066 0.0434 0.0434
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0351 0.5
Schistosoma mansoni tyrosine kinase 0.0057 0.0322 0.0538
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0351 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0057 0.0322 0.0623
Schistosoma mansoni basigin related 0.0046 0.0182 0.0264
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0057 0.0322 0.0322
Echinococcus granulosus tar DNA binding protein 0.0062 0.0384 0.0744
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0053 0.0274 0.053
Echinococcus multilocularis tyrosine protein kinase otk 0.0066 0.0434 0.0434
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Echinococcus multilocularis roundabout 2 0.0066 0.0434 0.0434
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0057 0.0322 0.0322
Echinococcus multilocularis neuroglian 0.0066 0.0434 0.0434
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0057 0.0322 0.0623
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0066 0.0434 0.0727
Echinococcus multilocularis Immunoglobulin subtype 0.0046 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Brugia malayi hypothetical protein 0.0051 0.0246 0.0378
Schistosoma mansoni netrin receptor unc5 0.0046 0.0182 0.0264
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0057 0.0322 0.0623
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0066 0.0434 0.0434
Brugia malayi hypothetical protein 0.0072 0.0521 0.0888
Loa Loa (eye worm) TK protein kinase 0.0444 0.5421 1
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0036 0.0047 0.0006
Loa Loa (eye worm) hypothetical protein 0.0309 0.3638 0.6685
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0066 0.0434 0.0434
Brugia malayi Heparan sulfate 0.0046 0.0182 0.0258
Echinococcus granulosus tyrosine kinase 0.0053 0.0274 0.053
Echinococcus multilocularis Immunoglobulin 0.0217 0.2435 0.2435
Echinococcus granulosus tyrosine protein kinase Fyn 0.0057 0.0322 0.0623
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0384 0.0384
Schistosoma mansoni titin 0.0091 0.0773 0.1418
Echinococcus granulosus neuroglian 0.0237 0.2687 0.5198
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0057 0.0322 0.0322
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0046 0.0182 0.0182
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0351 0.0678
Echinococcus granulosus defective proboscis extension response 0.0217 0.2435 0.4711
Loa Loa (eye worm) hypothetical protein 0.0051 0.0246 0.0378
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0046 0.0182 0.0264
Echinococcus multilocularis tyrosine protein kinase Srms 0.0053 0.0274 0.0274
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0425 0.5169 1
Onchocerca volvulus Tyrosine kinase homolog 0.0066 0.0435 0.3535
Schistosoma mansoni tyrosine kinase 0.0425 0.5169 1
Brugia malayi Immunoglobulin domain containing protein 0.0046 0.0182 0.0258
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0066 0.0434 0.0756
Schistosoma mansoni basigin related 0.0046 0.0182 0.0264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0285 0.3321 0.6095
Loa Loa (eye worm) hypothetical protein 0.012 0.1145 0.205
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0351 0.0594
Echinococcus granulosus neuroglian 0.0066 0.0434 0.084
Loa Loa (eye worm) immunoglobulin domain-containing protein 0.0046 0.0182 0.0258
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Schistosoma mansoni netrin receptor unc5 0.0046 0.0182 0.0264
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0434 0.084
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Echinococcus granulosus peroxidasin 0.0066 0.0434 0.084
Schistosoma mansoni roundabout 0.0066 0.0434 0.0756
Schistosoma mansoni septate junction protein 0.0066 0.0434 0.0756
Echinococcus granulosus Immunoglobulin 0.0217 0.2435 0.4711
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0046 0.0182 0.0264
Echinococcus granulosus basement membrane specific heparan sulfate 0.0046 0.0182 0.0352
Echinococcus multilocularis tyrosine protein kinase Blk 0.0053 0.0274 0.0274
Schistosoma mansoni cell adhesion molecule 0.0066 0.0434 0.0756
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0182 0.0258
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0258
Loa Loa (eye worm) hypothetical protein 0.0217 0.2435 0.4447
Loa Loa (eye worm) hypothetical protein 0.0264 0.3047 0.5586
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0425 0.5169 0.5169
Brugia malayi Immunoglobulin domain containing protein 0.0046 0.0182 0.0258
Brugia malayi Immunoglobulin I-set domain containing protein 0.0217 0.2435 0.4447
Echinococcus multilocularis Immunoglobulin 0.0046 0.0182 0.0182
Echinococcus granulosus hemicentin 1 0.0091 0.0773 0.1495
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0258
Echinococcus granulosus contactin 0.0091 0.0773 0.1495
Echinococcus multilocularis lachesin 0.0066 0.0434 0.0434
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0217 0.2435 0.4662
Schistosoma mansoni septate junction protein 0.0066 0.0434 0.0756
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0066 0.0434 0.0727
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0057 0.0322 0.0322
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0046 0.0182 0.0352
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0351 0.5
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0091 0.0773 0.6611
Onchocerca volvulus Huntingtin homolog 0.012 0.1145 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.005 0.0225 0.0225
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0036 0.0047 0.0006
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0057 0.0322 0.0322
Loa Loa (eye worm) SRC-1 0.0057 0.0322 0.0519
Brugia malayi Prion-like- 0.0066 0.0434 0.0727
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0066 0.0434 0.0434
Onchocerca volvulus Huntingtin homolog 0.012 0.1145 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0434 0.0434
Onchocerca volvulus Netrin receptor homolog 0.0045 0.0161 0.104
Echinococcus granulosus tyrosine protein kinase Fyn 0.0057 0.0322 0.0623
Loa Loa (eye worm) TK protein kinase 0.0053 0.0274 0.043
Echinococcus granulosus tyrosine protein kinase Fyn 0.0057 0.0322 0.0623
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0182 0.0258
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.004 0.0096 0.0185
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0057 0.0322 0.0322
Echinococcus granulosus low density lipoprotein receptor ldl 0.0046 0.0182 0.0352
Echinococcus multilocularis hemicentin 1 0.0066 0.0434 0.0434
Echinococcus multilocularis cell adhesion molecule:down regulated by 0.0046 0.0182 0.0182
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0425 0.5169 0.5169
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0072 0.0521 0.0926
Echinococcus granulosus aryl hydrocarbon receptor 0.0052 0.025 0.0483
Loa Loa (eye worm) LAD-2 short isoform 0.0046 0.0182 0.0258
Schistosoma mansoni cell adhesion molecule 0.0046 0.0182 0.0264
Echinococcus granulosus 3'partial|cell adhesion molecule:down regulated by 0.0046 0.0182 0.0352
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0066 0.0434 0.0727
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Echinococcus granulosus roundabout 2 0.0066 0.0434 0.084
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.004 0.0096 0.0096
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0045 0.0161 0.0223
Onchocerca volvulus 0.0045 0.0161 0.104
Echinococcus multilocularis leucine rich repeat containing protein 4 0.0046 0.0182 0.0182
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0384 0.066
Schistosoma mansoni cell adhesion molecule 0.0264 0.3047 0.5858
Brugia malayi Immunoglobulin I-set domain containing protein 0.0444 0.5421 1
Echinococcus granulosus netrin receptor unc 5 0.0046 0.0182 0.0352
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0258
Loa Loa (eye worm) hypothetical protein 0.0066 0.0434 0.0727
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0046 0.0182 0.0182
Schistosoma mansoni vesicular amine transporter 0.0217 0.2435 0.4662
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0384 0.0634
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0351 0.0594
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0351 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0258
Echinococcus multilocularis roundabout 2 0.0066 0.0434 0.0434
Echinococcus granulosus tyrosine protein kinase HCK 0.005 0.0225 0.0435
Brugia malayi SRC-1 0.0057 0.0322 0.0519
Brugia malayi hypothetical protein 0.0036 0.0047 0.0006
Echinococcus granulosus tyrosine protein kinase otk 0.0066 0.0434 0.084
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0046 0.0182 0.0182
Brugia malayi Immunoglobulin domain containing protein 0.0046 0.0182 0.0258
Brugia malayi RNA binding protein 0.0062 0.0384 0.0634
Schistosoma mansoni septate junction protein 0.0046 0.0182 0.0264
Schistosoma mansoni hypothetical protein 0.0046 0.0182 0.0264
Loa Loa (eye worm) TK/ROR protein kinase 0.004 0.0096 0.0098
Echinococcus multilocularis hemicentin 1 0.0091 0.0773 0.0773
Onchocerca volvulus Putative titin 0.0045 0.0161 0.104
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0182 0.0258
Schistosoma mansoni tyrosine kinase 0.0057 0.0322 0.0538
Echinococcus granulosus lachesin 0.0066 0.0434 0.084
Onchocerca volvulus 0.0045 0.0161 0.104
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0046 0.0182 0.0264
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0384 0.0634
Brugia malayi Peroxidasin 0.0066 0.0434 0.0727
Schistosoma mansoni cell adhesion molecule 0.0046 0.0182 0.0264
Schistosoma mansoni basigin related 0.0046 0.0182 0.0264
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0351 0.0351
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0046 0.0182 0.0264
Schistosoma mansoni nephrin 0.0237 0.2687 0.5155
Brugia malayi TAR-binding protein 0.0062 0.0384 0.0634
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0434 0.0727
Schistosoma mansoni cell adhesion molecule 0.0066 0.0434 0.0756
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0384 0.066
Echinococcus granulosus tyrosine protein kinase Blk 0.0053 0.0274 0.053
Echinococcus granulosus twitchin 0.0237 0.2687 0.5198
Echinococcus multilocularis roundabout 2 0.0283 0.3299 0.3299

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28 uM In vitro inhibition of ADP-induced aggregation of human PRP in the presence of pig aortal microsomes (PAM). ChEMBL. 1311763
IC50 (functional) = 28 uM In vitro inhibition of ADP-induced aggregation of human PRP in the presence of pig aortal microsomes (PAM). ChEMBL. 1311763
IC50 (functional) = 270 uM Inhibition of ADP-induced aggregation of human PRP in the absence of pig aortal microsomes (PAM) ChEMBL. 1311763
IC50 (functional) = 270 uM Inhibition of ADP-induced aggregation of human PRP in the absence of pig aortal microsomes (PAM) ChEMBL. 1311763
Ratio (functional) = 9.6 Ratio of IC50(w/oPAM)/IC50(w/PAM) ChEMBL. 1311763

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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