Detailed information for compound 1808000

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1280.5 | Formula: C57H89N19O13S
  • H donors: 16 H acceptors: 13 LogP: -6.21 Rotable bonds: 44
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H](C(=O)N[C@@H](C(=O)N(C1CCCCC1)CC(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCN=C(N)N)O
  • InChi: 1S/C57H89N19O13S/c58-37(17-7-21-65-55(59)60)47(81)71-38(18-8-22-66-56(61)62)51(85)74-24-10-20-43(74)53(87)76-30-35(78)27-44(76)50(84)68-29-45(79)70-40(28-36-16-11-25-90-36)48(82)73-42(32-77)49(83)72-41(26-33-12-3-1-4-13-33)52(86)75(34-14-5-2-6-15-34)31-46(80)69-39(54(88)89)19-9-23-67-57(63)64/h1,3-4,11-13,16,25,34-35,37-44,77-78H,2,5-10,14-15,17-24,26-32,58H2,(H,68,84)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41-,42+,43+,44+/m1/s1
  • InChiKey: GLGIPOFSNUBXAM-QSBTYHCNSA-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 bradykinin receptor B2 Starlite/ChEMBL References
Rattus norvegicus Bradykinin B2 receptor Starlite/ChEMBL References
Homo sapiens bradykinin receptor B1 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
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Bradykinin B2 receptor   396 aa 329 aa 21.6 %
Onchocerca volvulus Bradykinin B2 receptor   396 aa 317 aa 19.6 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %
Echinococcus granulosus rhodopsin orphan GPCR Bradykinin B2 receptor   396 aa 323 aa 22.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Bradykinin B2 receptor   396 aa 317 aa 23.7 %
Echinococcus granulosus allatostatin A receptor Bradykinin B2 receptor   396 aa 319 aa 25.7 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Bradykinin B2 receptor   396 aa 347 aa 22.5 %
Schistosoma japonicum Rhodopsin, putative Bradykinin B2 receptor   396 aa 332 aa 22.9 %
Echinococcus multilocularis allatostatin A receptor Bradykinin B2 receptor   396 aa 319 aa 25.7 %
Echinococcus multilocularis rhodopsin orphan GPCR Bradykinin B2 receptor   396 aa 320 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0144 0.5
Schistosoma mansoni amine GPCR 0.0009 0.0268 0.0268
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0009 0.0268 0.0088
Loa Loa (eye worm) hypothetical protein 0.0028 0.1411 0.391
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0705 0.0532
Schistosoma mansoni hypothetical protein 0.0009 0.0268 0.0268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus granulosus neuropeptide Y receptor 0.0009 0.0268 0.0088
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0034 0.1812 0.5282
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis dro:myosuppressin receptor 0.0009 0.0268 0.0088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2766 0.8546
Echinococcus granulosus neuropeptides capa receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis neuropeptides capa receptor 0.0009 0.0268 0.0088
Echinococcus granulosus dro:myosuppressin receptor 0.0009 0.0268 0.0088
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0705 0.1493
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0009 0.0268 0.0088
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0705 0.1493
Echinococcus multilocularis g protein coupled receptor 0.0009 0.0268 0.0088
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Echinococcus granulosus neuropeptide s receptor 0.0009 0.0268 0.0088
Schistosoma mansoni biogenic amine (5HT) receptor 0.0009 0.0268 0.0268
Onchocerca volvulus 0.0057 0.3191 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.3435 0.3435
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis serotonin receptor 0.0009 0.0268 0.0088
Echinococcus granulosus alpha 1A adrenergic receptor 0.0009 0.0268 0.0088
Schistosoma mansoni lamin 0.0057 0.3191 0.3191
Echinococcus granulosus neuropeptide FF receptor 2 0.0009 0.0268 0.0088
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni amine GPCR 0.0009 0.0268 0.0268
Echinococcus granulosus fmrfamide receptor 0.0009 0.0268 0.0088
Schistosoma mansoni opsin-like receptor 0.0009 0.0268 0.0268
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.1488 0.4173
Echinococcus granulosus tm gpcr rhodopsin 0.0009 0.0268 0.0088
Echinococcus granulosus neuropeptide receptor A26 0.0009 0.0268 0.0088
Echinococcus granulosus peptide allatostatin:somatostatin 0.0009 0.0268 0.0088
Schistosoma mansoni cpg binding protein 0.0031 0.1587 0.1587
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0009 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.005 0.2766 0.8546
Schistosoma mansoni myosin xvIII 0.0009 0.0268 0.0268
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis neuropeptide receptor 0.0009 0.0268 0.0088
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0009 0.0268 0.0088
Schistosoma mansoni lamin 0.0057 0.3191 0.3191
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Brugia malayi CXXC zinc finger family protein 0.0029 0.1488 0.4173
Schistosoma mansoni neuropeptide receptor 0.0009 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0016 0.0705 0.0705
Echinococcus multilocularis neuropeptide receptor 0.0009 0.0268 0.0088
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0705 0.0532
Echinococcus granulosus g protein coupled receptor 0.0009 0.0268 0.0088
Schistosoma mansoni biogenic amine receptor 0.0009 0.0268 0.0268
Echinococcus granulosus g protein coupled receptor 0.0009 0.0268 0.0088
Loa Loa (eye worm) hypothetical protein 0.0016 0.0705 0.1493
Echinococcus multilocularis neuropeptide Y receptor 0.0009 0.0268 0.0088
Loa Loa (eye worm) hypothetical protein 0.0057 0.3191 1
Echinococcus multilocularis serotonin receptor 0.0009 0.0268 0.0088
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0009 0.0268 0.0268
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0288 0.0108
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0009 0.0268 0.0088
Echinococcus multilocularis GPCR, family 2 0.0016 0.0705 0.0532
Echinococcus granulosus biogenic amine 5HT receptor 0.0009 0.0268 0.0088
Echinococcus granulosus g protein coupled receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis fmrfamide receptor 0.0009 0.0268 0.0088
Brugia malayi intermediate filament protein 0.0057 0.3191 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0009 0.0268 0.0268
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.1594 0.4535
Echinococcus granulosus cpg binding protein 0.0031 0.1587 0.1431
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1812 0.5282
Schistosoma mansoni hypothetical protein 0.0009 0.0268 0.0268
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0009 0.0268 0.0088
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0009 0.0268 0.0088
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.1411 0.1252
Echinococcus granulosus lamin dm0 0.0057 0.3191 0.3065
Schistosoma mansoni opsin-like receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0705 0.0532
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2766 0.8546
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0009 0.0268 0.0088
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Trichomonas vaginalis helicase, putative 0.0007 0.0144 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.3191 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.0268 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Schistosoma mansoni amine GPCR 0.0009 0.0268 0.0268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni adenoreceptor 0.0009 0.0268 0.0268
Echinococcus multilocularis orexin receptor type 2 0.0009 0.0268 0.0088
Loa Loa (eye worm) hypothetical protein 0.0027 0.1348 0.3694
Echinococcus multilocularis G protein coupled receptor 139 0.0009 0.0268 0.0088
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus granulosus neuropeptide receptor 0.0009 0.0268 0.0088
Loa Loa (eye worm) hypothetical protein 0.0027 0.1348 0.3694
Schistosoma mansoni neuropeptide f receptor 76f 0.0009 0.0268 0.0268
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Schistosoma mansoni cpg binding protein 0.0029 0.1488 0.1488
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0009 0.0268 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Echinococcus granulosus orexin receptor type 2 0.0009 0.0268 0.0088
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.3191 1
Echinococcus granulosus g-protein coupled receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.0016 0.0705 0.0705
Echinococcus multilocularis g protein coupled receptor 0.0009 0.0268 0.0088
Loa Loa (eye worm) intermediate filament protein 0.0057 0.3191 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0288 0.0108
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0705 0.0532
Schistosoma mansoni hypothetical protein 0.0009 0.0268 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni cpg binding protein 0.0031 0.1587 0.1587
Schistosoma mansoni alpha-1 adrenergic receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis g-protein coupled receptor 0.0009 0.0268 0.0088
Schistosoma mansoni opsin-like receptor 0.0009 0.0268 0.0268
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis G-protein coupled receptor, putative 0.0009 0.0268 0.0088
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.1594 0.4535
Echinococcus granulosus biogenic amine 5HT receptor 0.0009 0.0268 0.0088
Echinococcus granulosus sex peptide receptor 0.0009 0.0268 0.0088
Echinococcus granulosus allatostatin A receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis musashi 0.0057 0.3191 0.3065
Schistosoma mansoni biogenic amine receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0009 0.0268 0.0088
Echinococcus multilocularis fmrfamide receptor 0.0009 0.0268 0.0088
Schistosoma mansoni histamine h1 receptor 0.0009 0.0268 0.0268
Schistosoma mansoni neuropeptide F-like receptor 0.0009 0.0268 0.0268
Echinococcus granulosus neuropeptide receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0009 0.0268 0.0088
Echinococcus multilocularis neuropeptide s receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis neuropeptides capa receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0009 0.0268 0.0088
Echinococcus multilocularis cpg binding protein 0.0031 0.1587 0.1431
Echinococcus granulosus hypothetical protein 0.0009 0.0268 0.0088
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus multilocularis sex peptide receptor 0.0009 0.0268 0.0088
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0705 0.1493
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni hypothetical protein 0.0009 0.0268 0.0268
Schistosoma mansoni biogenic amine (5HT) receptor 0.0009 0.0268 0.0268
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0009 0.0268 0.0088
Echinococcus granulosus lamin 0.0057 0.3191 0.3065
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0144 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0288 0.0068
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis lamin dm0 0.0057 0.3191 0.3065
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0705 0.0705
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0281 0.0044
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0009 0.0268 0.0268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Echinococcus granulosus serotonin receptor 0.0009 0.0268 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0144 0.5
Echinococcus multilocularis lamin 0.0057 0.3191 0.3065
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0009 0.0268 0.0088
Echinococcus multilocularis g protein coupled receptor 0.0009 0.0268 0.0088
Echinococcus granulosus tachykinin peptides receptor 99D 0.0009 0.0268 0.0088
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0009 0.0268 0.0088
Schistosoma mansoni growth hormone secretagogue receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.1411 0.1252
Schistosoma mansoni hypothetical protein 0.0034 0.1812 0.1812
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2766 0.8546
Echinococcus multilocularis neuropeptide Y receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0009 0.0268 0.0088
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Echinococcus granulosus G protein coupled receptor 139 0.0009 0.0268 0.0088
Echinococcus multilocularis geminin 0.0171 1 1
Echinococcus granulosus somatostatin receptor 0.0009 0.0268 0.0088
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.3042 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0009 0.0268 0.0268
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0009 0.0268 0.0088
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Echinococcus multilocularis somatostatin receptor 0.0009 0.0268 0.0088
Schistosoma mansoni amine GPCR 0.0009 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0056 0.3128 0.9785
Schistosoma mansoni amine GPCR 0.0009 0.0268 0.0268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0144 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0009 0.0268 0.0268
Echinococcus granulosus neuropeptide Y receptor 0.0009 0.0268 0.0088
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0009 0.0268 0.0088
Echinococcus granulosus neuropeptides capa receptor 0.0009 0.0268 0.0088
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0009 0.0268 0.0268
Echinococcus granulosus tm gpcr rhodopsin 0.0009 0.0268 0.0088
Schistosoma mansoni hypothetical protein 0.0171 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0009 0.0268 0.0268
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0009 0.0268 0.0088
Echinococcus granulosus 7tm_1 domain containing protein 0.0009 0.0268 0.0088
Echinococcus granulosus GPCR family 2 0.0016 0.0705 0.0532
Schistosoma mansoni hypothetical protein 0.0171 1 1
Schistosoma mansoni neuropeptide receptor 0.0009 0.0268 0.0268
Schistosoma mansoni intermediate filament proteins 0.0057 0.3191 0.3191
Echinococcus granulosus intermediate filament protein 0.0057 0.3191 0.3065
Onchocerca volvulus 0.0029 0.1488 0.4173
Echinococcus multilocularis neuropeptide receptor A26 0.0009 0.0268 0.0088
Echinococcus multilocularis rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni neuropeptide F-like receptor 0.0009 0.0268 0.0268
Echinococcus multilocularis allatostatin A receptor 0.0009 0.0268 0.0088
Schistosoma mansoni neuropeptide receptor 0.0009 0.0268 0.0268
Echinococcus granulosus rhodopsin orphan GPCR 0.0009 0.0268 0.0088
Schistosoma mansoni neuropeptide receptor 0.0009 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0016 0.0705 0.0705
Echinococcus granulosus tm gpcr rhodopsin 0.0009 0.0268 0.0088
Schistosoma mansoni biogenic amine receptor 0.0009 0.0268 0.0268
Echinococcus granulosus 7TM GPCR rhodopsin 0.0009 0.0268 0.0088
Onchocerca volvulus 0.0057 0.3191 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0009 0.0268 0.0088

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.52 In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta ChEMBL. 8691478
Kd (functional) = 7.73 In vitro Bradykinin receptor B2 antagonist activity of the compound was determined by using rat uterus functional assay ChEMBL. 8691478
Ki (binding) = -8.57 Binding affinity towards Bradykinin receptor B2 in human S34 clone cells ChEMBL. 8691478

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.

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