Detailed information for compound 452399

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.197 | Formula: C10H8N4
  • H donors: 1 H acceptors: 3 LogP: 1.68 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1n[nH]nc1c1ccc(cc1)C
  • InChi: 1S/C10H8N4/c1-7-2-4-8(5-3-7)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14)
  • InChiKey: SYPJOSSWJOUPDE-UHFFFAOYSA-N  


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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
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Echinococcus granulosus cyclin B 0.0228 0.0873 0.0769
Loa Loa (eye worm) hypothetical protein 0.0147 0.0337 0.0489
Echinococcus multilocularis aminopeptidase N 0.0236 0.0922 0.0819
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis sex peptide receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis G protein coupled receptor 139 0.0461 0.2409 0.2323
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus dro:myosuppressin receptor 0.0156 0.0392 0.0283
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0156 0.0392 0.0353
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0247 0.0993 0.0957
Echinococcus multilocularis G-protein coupled receptor, putative 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Brugia malayi larval opioid receptor 0.0156 0.0392 0.047
Echinococcus multilocularis allatostatin A receptor 0.0156 0.0392 0.0283
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0156 0.0392 0.0353
Brugia malayi neuropeptide F receptor 0.0156 0.0392 0.047
Trypanosoma cruzi cyclin, putative 0.0228 0.0873 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Echinococcus multilocularis neuropeptides capa receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Brugia malayi neuroendocrine convertase 1 precursor 0.0656 0.3702 0.5838
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0156 0.0392 0.0578
Schistosoma mansoni hypothetical protein 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0212 0.0761 0.1169
Echinococcus granulosus cyclins 0.0127 0.0203 0.0092
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Trypanosoma cruzi CYC2-like cyclin, putative 0.0228 0.0873 0.5
Schistosoma mansoni hypothetical protein 0.0156 0.0392 0.0353
Schistosoma mansoni neuropeptide receptor 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0596 0.3305 0.5248
Echinococcus multilocularis neuropeptide FF receptor 2 0.0596 0.3305 0.3229
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0156 0.0392 0.0353
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0156 0.0392 0.0353
Trypanosoma brucei mitotic cyclin 6 0.0228 0.0873 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0596 0.3305 0.3229
Onchocerca volvulus 0.0156 0.0392 0.0831
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) TYRA-2 protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Schistosoma mansoni alpha-1 adrenergic receptor 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0175 0.0518 0.078
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0635 0.356 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.0603 0.0916
Trypanosoma cruzi cyclin, putative 0.0228 0.0873 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0656 0.3702 0.3631
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0188 0.0603 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Trichomonas vaginalis cyclins, putative 0.0228 0.0873 0.1996
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0139 0.0279 0.0397
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0156 0.0392 0.0353
Echinococcus granulosus allatostatin A receptor 0.0156 0.0392 0.0283
Brugia malayi G-protein coupled receptor 0.0156 0.0392 0.047
Loa Loa (eye worm) proprotein convertase 2 0.0247 0.0993 0.1541
Echinococcus granulosus 7tm_1 domain containing protein 0.0156 0.0392 0.0283
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0156 0.0392 0.047
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0137 0.0268 0.0157
Echinococcus granulosus neuropeptide s receptor 0.0156 0.0392 0.0283
Echinococcus granulosus 7TM GPCR rhodopsin 0.0156 0.0392 0.0283
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Schistosoma mansoni opsin-like receptor 0.0156 0.0392 0.0353
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus multilocularis neuropeptides capa receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.1044 0.6269 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Echinococcus granulosus tm gpcr rhodopsin 0.0156 0.0392 0.0283
Echinococcus granulosus tm gpcr rhodopsin 0.0156 0.0392 0.0283
Echinococcus granulosus furin 0.1044 0.6269 0.6226
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0156 0.0392 0.0283
Echinococcus granulosus g protein coupled receptor 0.0156 0.0392 0.0283
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis 0.0842 0.4933 0.4875
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0156 0.0392 0.0283
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0156 0.0392 0.0283
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Trichomonas vaginalis cyclin B, putative 0.0228 0.0873 0.1996
Loa Loa (eye worm) hypothetical protein 0.041 0.2071 0.327
Brugia malayi Peptidase family M13 containing protein 0.0188 0.0603 0.0812
Brugia malayi Cyclin, N-terminal domain containing protein 0.0228 0.0873 0.125
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.0871 0.1346
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus serotonin receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Schistosoma mansoni cyclins 0.0127 0.0203 0.0163
Brugia malayi G-protein coupled receptor 0.0156 0.0392 0.047
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Echinococcus granulosus cyclins 0.0127 0.0203 0.0092
Echinococcus granulosus neuropeptide receptor 0.0461 0.2409 0.2323
Echinococcus granulosus cyclins 0.0127 0.0203 0.0092
Loa Loa (eye worm) hypothetical protein 0.0149 0.0344 0.0501
Echinococcus multilocularis neuropeptide receptor A26 0.0156 0.0392 0.0283
Onchocerca volvulus 0.0156 0.0392 0.0831
Schistosoma mansoni hypothetical protein 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0137 0.0268 0.0378
Echinococcus multilocularis orexin receptor type 2 0.0156 0.0392 0.0283
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Plasmodium falciparum cyclin 0.0127 0.0203 0.5
Onchocerca volvulus 0.0156 0.0392 0.0831
Loa Loa (eye worm) peptidase family M1 containing protein 0.0191 0.0624 0.095
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0156 0.0392 0.047
Brugia malayi G protein-coupled receptor F59B2.13 0.0156 0.0392 0.047
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0156 0.0392 0.0831
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Brugia malayi AKH receptor 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.1044 0.6269 0.6254
Schistosoma mansoni hypothetical protein 0.0202 0.0698 0.066
Echinococcus granulosus fmrfamide receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) G-protein coupled receptor 0.0156 0.0392 0.0578
Echinococcus multilocularis g protein coupled receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0156 0.0392 0.0283
Echinococcus granulosus neuropeptides capa receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Schistosoma mansoni neuropeptide receptor 0.0461 0.2409 0.2378
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Echinococcus granulosus integrin beta 2 0.0707 0.4039 0.3971
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Brugia malayi GnHR receptor homolog 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus neuropeptide receptor A26 0.0156 0.0392 0.0283
Schistosoma mansoni neuropeptide f receptor 76f 0.0156 0.0392 0.0353
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0156 0.0392 0.0353
Brugia malayi Kelch motif family protein 0.0147 0.0337 0.038
Schistosoma mansoni opsin-like receptor 0.0156 0.0392 0.0353
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus granulosus g-protein coupled receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis neuropeptide s receptor 0.0156 0.0392 0.0283
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Onchocerca volvulus 0.0156 0.0392 0.0831
Schistosoma mansoni amine GPCR 0.0156 0.0392 0.0353
Echinococcus granulosus g protein coupled receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) neuropeptide F receptor 0.0156 0.0392 0.0578
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Brugia malayi Dopamine receptor protein 1 0.0156 0.0392 0.047
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0156 0.0392 0.0283
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Toxoplasma gondii peptidase family M13 protein 0.0188 0.0603 1
Echinococcus granulosus neuropeptide Y receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0166 0.0463 0.0691
Schistosoma mansoni biogenic amine (5HT) receptor 0.0156 0.0392 0.0353
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0156 0.0392 0.0283
Echinococcus granulosus somatostatin receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis endothelin converting enzyme 1 0.0188 0.0603 0.0496
Echinococcus multilocularis cyclin B 0.0228 0.0873 0.0769
Echinococcus granulosus expressed protein 0.0361 0.1752 0.1658
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0635 0.356 0.3486
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Echinococcus multilocularis cyclin B3 1 0.0127 0.0203 0.0092
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Echinococcus multilocularis integrin beta 2 0.0707 0.4039 0.3971
Trichomonas vaginalis cyclin B, putative 0.0228 0.0873 0.1996
Giardia lamblia High cysteine membrane protein Group 2 0.0388 0.1928 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0228 0.0873 0.1349
Loa Loa (eye worm) hypothetical protein 0.0228 0.0873 0.1349
Brugia malayi RE15519p 0.0156 0.0392 0.047
Giardia lamblia G2/mitotic-specific cyclin B 0.0228 0.0873 0.3883
Echinococcus granulosus neuropeptide receptor 0.0156 0.0392 0.0283
Schistosoma mansoni histamine h1 receptor 0.0156 0.0392 0.0353
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus multilocularis g-protein coupled receptor 0.0156 0.0392 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Brugia malayi Dopamine receptor protein 2 0.0156 0.0392 0.047
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Schistosoma mansoni biogenic amine receptor 0.0156 0.0392 0.0353
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0202 0.0698 0.1474
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0202 0.0698 0.1474
Echinococcus granulosus neuropeptides capa receptor 0.0156 0.0392 0.0283
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0127 0.0203 0.0092
Brugia malayi G protein-coupled receptor 0.0156 0.0392 0.047
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0127 0.0203 0.0092
Schistosoma mansoni integrin alpha 0.0148 0.0341 0.0302
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus granulosus cyclin B3 1 0.0127 0.0203 0.0092
Trichomonas vaginalis cyclins, putative 0.0228 0.0873 0.1996
Trichomonas vaginalis cyclins, putative 0.0132 0.0235 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Brugia malayi proprotein convertase 2 0.0656 0.3702 0.5838
Loa Loa (eye worm) integrin beta-2 0.0959 0.5702 0.9091
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0188 0.0603 0.0812
Onchocerca volvulus 0.0156 0.0392 0.0831
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus biogenic amine 5HT receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0116 0.0131 0.0158
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Loa Loa (eye worm) hypothetical protein 0.0139 0.0279 0.0397
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Mycobacterium leprae probable zinc metalloprotease 0.0188 0.0603 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0635 0.356 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0156 0.0392 0.0353
Onchocerca volvulus 0.0156 0.0392 0.0831
Schistosoma mansoni hypothetical protein 0.0156 0.0392 0.0353
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis neuropeptide Y receptor 0.0156 0.0392 0.0283
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Onchocerca volvulus Neuropeptide F receptor homolog 0.0156 0.0392 0.0831
Loa Loa (eye worm) G-protein coupled receptor 0.0156 0.0392 0.0578
Onchocerca volvulus 0.0156 0.0392 0.0831
Schistosoma mansoni neuropeptide receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis cyclins 0.0127 0.0203 0.0092
Echinococcus multilocularis neuropeptide receptor 0.0156 0.0392 0.0283
Brugia malayi Myb-like DNA-binding domain containing protein 0.017 0.0485 0.0621
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus granulosus tachykinin peptides receptor 99D 0.0156 0.0392 0.0283
Schistosoma mansoni amine GPCR 0.0156 0.0392 0.0353
Echinococcus multilocularis neuropeptide Y receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0156 0.0392 0.0283
Brugia malayi neuropeptide F receptor 0.0156 0.0392 0.047
Echinococcus multilocularis g protein coupled receptor 0.0156 0.0392 0.0283
Onchocerca volvulus 0.0228 0.0873 0.9149
Onchocerca volvulus 0.0156 0.0392 0.0831
Brugia malayi SWIRM domain containing protein 0.0149 0.0344 0.0392
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0635 0.356 0.3486
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0156 0.0392 0.0283
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0202 0.0698 0.1474
Brugia malayi ORL1-like opioid receptor 0.0156 0.0392 0.047
Schistosoma mansoni biogenic amine (5HT) receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis somatostatin receptor 0.0156 0.0392 0.0283
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Echinococcus granulosus orexin receptor type 2 0.0156 0.0392 0.0283
Trichomonas vaginalis cyclin B, putative 0.0228 0.0873 0.1996
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Leishmania major cyclin 0.0228 0.0873 0.5
Echinococcus multilocularis Furin 1 0.0247 0.0993 0.0891
Echinococcus granulosus endothelin converting enzyme 1 0.0188 0.0603 0.0496
Brugia malayi Melatonin receptor type 1A 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0156 0.0392 0.0283
Brugia malayi Dopamine receptor 0.0156 0.0392 0.047
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0156 0.0392 0.0578
Schistosoma mansoni growth hormone secretagogue receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis g protein coupled receptor 0.0156 0.0392 0.0283
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0156 0.0392 0.047
Schistosoma mansoni integrin beta subunit 0.056 0.3063 0.3035
Brugia malayi Serotonin receptor 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Brugia malayi putative neuropeptide receptor NPR1 0.0156 0.0392 0.047
Schistosoma mansoni biogenic amine receptor 0.0156 0.0392 0.0353
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0156 0.0392 0.0283
Brugia malayi follicle stimulating hormone receptor 0.0156 0.0392 0.047
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Brugia malayi Integrin beta pat-3 precursor 0.0959 0.5702 0.9081
Echinococcus multilocularis dro:myosuppressin receptor 0.0156 0.0392 0.0283
Schistosoma mansoni cyclin B3 0.0127 0.0203 0.0163
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Brugia malayi putative neuropeptide receptor 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus cyclins 0.0127 0.0203 0.0092
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus cyclins 0.0127 0.0203 0.0092
Onchocerca volvulus 0.0156 0.0392 0.0831
Trichomonas vaginalis cyclins, putative 0.0228 0.0873 0.1996
Schistosoma mansoni hypothetical protein 0.1608 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0156 0.0392 0.0283
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0156 0.0392 0.0283
Echinococcus multilocularis cyclin b3 0.0127 0.0203 0.0092
Echinococcus granulosus aminopeptidase N 0.0236 0.0922 0.0819
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0156 0.0392 0.0283
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) peptidase family M13 containing protein 0.0139 0.0279 0.0397
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Loa Loa (eye worm) peptidase family M13 containing protein 0.0139 0.0279 0.0397
Brugia malayi Tachykinin-like peptides receptor 99D 0.0596 0.3305 0.5194
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Schistosoma mansoni adenoreceptor 0.0156 0.0392 0.0353
Mycobacterium ulcerans zinc metalloprotease 0.0188 0.0603 0.5
Brugia malayi sulfakinin receptor protein 0.0156 0.0392 0.047
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.017 0.0485 0.0727
Trypanosoma cruzi cyclin 6, putative 0.0228 0.0873 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0156 0.0392 0.0283
Echinococcus granulosus hypothetical protein 0.0156 0.0392 0.0283
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0247 0.0993 0.2354
Echinococcus granulosus neuropeptide Y receptor 0.0156 0.0392 0.0283
Brugia malayi celfurPC protein 0.0842 0.4933 0.7833
Echinococcus multilocularis neuropeptide receptor 0.0461 0.2409 0.2323
Onchocerca volvulus CoRest homolog 0.0175 0.0518 0.3005
Trichomonas vaginalis hypothetical protein 0.0202 0.0698 0.1474
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus cyclin b3 0.0127 0.0203 0.0092
Echinococcus granulosus g protein coupled receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) cyclin domain-containing protein 0.0127 0.0203 0.0275
Brugia malayi Cyclin, N-terminal domain containing protein 0.0228 0.0873 0.125
Echinococcus granulosus lysine specific histone demethylase 1A 0.0137 0.0268 0.0157
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0137 0.0268 0.0228
Loa Loa (eye worm) hypothetical protein 0.0142 0.0301 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus multilocularis fmrfamide receptor 0.0156 0.0392 0.0283
Echinococcus granulosus peptide allatostatin:somatostatin 0.0156 0.0392 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474
Schistosoma mansoni neuropeptide receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis fmrfamide receptor 0.0156 0.0392 0.0283
Brugia malayi Cyclin, N-terminal domain containing protein 0.0127 0.0203 0.0163
Giardia lamblia Furin precursor putative serine protease 0.0202 0.0698 0.2868
Brugia malayi endoprotease bli-4 precursor 0.1044 0.6269 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Schistosoma mansoni furin-1 (S08 family) 0.0454 0.2366 0.2335
Schistosoma mansoni opsin-like receptor 0.0156 0.0392 0.0353
Echinococcus granulosus rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0139 0.0279 0.0397
Trichomonas vaginalis cyclin B, putative 0.0228 0.0873 0.1996
Schistosoma mansoni amine GPCR 0.0156 0.0392 0.0353
Schistosoma mansoni neuropeptide F-like receptor 0.0156 0.0392 0.0353
Schistosoma mansoni amine GPCR 0.0156 0.0392 0.0353
Loa Loa (eye worm) hypothetical protein 0.0139 0.0279 0.0397
Echinococcus multilocularis expressed protein 0.0361 0.1752 0.1658
Onchocerca volvulus 0.0236 0.0922 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0156 0.0392 0.0353
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0156 0.0392 0.047
Loa Loa (eye worm) hypothetical protein 0.0137 0.0268 0.0378
Echinococcus multilocularis serotonin receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Echinococcus granulosus biogenic amine 5HT receptor 0.0156 0.0392 0.0283
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0663 0.3747 0.3676
Brugia malayi hypothetical protein 0.0156 0.0392 0.047
Echinococcus granulosus Furin 1 0.0247 0.0993 0.0891
Loa Loa (eye worm) hypothetical protein 0.0188 0.0603 0.0916
Echinococcus granulosus neuroendocrine convertase 2 0.0656 0.3702 0.3631
Loa Loa (eye worm) hypothetical protein 0.0188 0.0603 0.0916
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Schistosoma mansoni cyclin B 0.0228 0.0873 0.0836
Entamoeba histolytica cyclin, putative 0.0228 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0147 0.0337 0.0489
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0156 0.0392 0.0353
Trichomonas vaginalis cyclins, putative 0.0228 0.0873 0.1996
Schistosoma mansoni neuropeptide F-like receptor 0.0156 0.0392 0.0353
Echinococcus multilocularis serotonin receptor 0.0156 0.0392 0.0283
Echinococcus granulosus G protein coupled receptor 139 0.0156 0.0392 0.0283
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.0341 0.0387
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0156 0.0392 0.0283
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0156 0.0392 0.0578
Loa Loa (eye worm) melatonin receptor type 1A 0.0156 0.0392 0.0578
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0188 0.0603 0.0565
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Loa Loa (eye worm) hypothetical protein 0.0156 0.0392 0.0578
Trichomonas vaginalis cyclin A, putative 0.0228 0.0873 0.1996
Echinococcus multilocularis dnaJ subfamily B 0.1608 1 1
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0922 0.1329
Brugia malayi hypothetical protein 0.0147 0.0337 0.038
Schistosoma mansoni biogenic amine receptor 0.0156 0.0392 0.0353
Schistosoma mansoni amine GPCR 0.0156 0.0392 0.0353
Brugia malayi Serotonin receptor 0.0156 0.0392 0.047
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0228 0.0873 0.5
Schistosoma mansoni myosin xvIII 0.0156 0.0392 0.0353
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0156 0.0392 0.0578
Echinococcus granulosus tm gpcr rhodopsin 0.0663 0.3747 0.3676
Onchocerca volvulus 0.0156 0.0392 0.0831
Loa Loa (eye worm) neuropeptide F receptor 0.0156 0.0392 0.0578
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0156 0.0392 0.0283
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0156 0.0392 0.0353
Onchocerca volvulus 0.0156 0.0392 0.0831
Echinococcus granulosus alpha 1A adrenergic receptor 0.0156 0.0392 0.0283
Echinococcus granulosus sex peptide receptor 0.0156 0.0392 0.0283
Loa Loa (eye worm) endoprotease bli-4 0.1044 0.6269 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0102 0.0113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0156 0.0392 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.0698 0.1474

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36.5 uM Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay ChEMBL. 17174554
IC50 (binding) = 36.5 uM Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay ChEMBL. 17174554
IC50 (functional) = 211.7 uM Growth inhibition of human MDA-MB-453 cells by MTT assay ChEMBL. 17174554
IC50 (functional) = 211.7 uM Growth inhibition of human MDA-MB-453 cells by MTT assay ChEMBL. 17174554

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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