Detailed information for compound 1409289

Basic information

Technical information
  • TDR Targets ID: 1409289
  • Name: 3-(3,4-dimethoxyphenyl)-1-ethyl-6,7-dimethoxy isoquinoline
  • MW: 353.412 | Formula: C21H23NO4
  • H donors: 0 H acceptors: 1 LogP: 4.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)c1nc(CC)c2c(c1)cc(c(c2)OC)OC
  • InChi: 1S/C21H23NO4/c1-6-16-15-12-21(26-5)20(25-4)11-14(15)9-17(22-16)13-7-8-18(23-2)19(10-13)24-3/h7-12H,6H2,1-5H3
  • InChiKey: ZPFSDHHSBZSESO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dimethoxyphenyl)-1-ethyl-6,7-dimethoxy-isoquinoline
  • MLS000564453
  • SMR000176781
  • ChemDiv2_000549
  • 3-(3,4-Dimethoxy-phenyl)-1-ethyl-6,7-dimethoxy-isoquinoline
  • BAS 01280329
  • Oprea1_276905
  • STOCK1N-46772
  • ZINC00856168

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 NAD dependent deacetylase sirtuin 6 0.0039 0.0179 0.0179
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0042 0.021 0.0247
Echinococcus granulosus membrane bound transcription factor site 1 0.0042 0.021 0.021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.0558 0.0558
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0107 0.0889 0.0889
Toxoplasma gondii subtilisin SUB9 0.0042 0.021 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0506 0.0563
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0075 0.0558 0.0658
Loa Loa (eye worm) hypothetical protein 0.0384 0.3784 0.3784
Brugia malayi transcriptional regulator, Sir2 family protein 0.0039 0.0179 0.0179
Loa Loa (eye worm) transcriptional regulator 0.0039 0.0179 0.0179
Brugia malayi Protein kinase domain containing protein 0.0511 0.5108 0.5108
Brugia malayi TAR-binding protein 0.0076 0.0572 0.0572
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0042 0.021 0.021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0218 0.2052 0.3224
Brugia malayi NAD-dependent deacetylase SIRT1 0.0218 0.2052 0.2052
Echinococcus multilocularis 0.079 0.8022 0.9463
Trypanosoma cruzi subtilisin peptidase 0.0042 0.021 0.1236
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0039 0.0179 0.084
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0085 0.0665 1
Echinococcus granulosus furin 0.0979 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0039 0.0179 0.084
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0039 0.0179 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0179 0.6793
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8477 0.8477
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0107 0.0889 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.021 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0349 0.0349
Toxoplasma gondii subtilisin SUB6 0.0042 0.021 1
Echinococcus granulosus neuroendocrine convertase 2 0.0615 0.62 0.62
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.021 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Plasmodium vivax NAD-dependent deacetylase, putative 0.0039 0.0179 0.6793
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0042 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0979 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0041 0.0202 0.0202
Plasmodium falciparum subtilisin-like protease 3 0.0042 0.021 1
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0189 0.1751 0.2706
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.021 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0349 0.0349
Echinococcus multilocularis allatostatin A receptor 0.0034 0.0124 0.0147
Brugia malayi RNA binding protein 0.0076 0.0572 0.0572
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0218 0.2052 0.3224
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0401 0.0401
Plasmodium vivax subtilisin-like protease 2, putative 0.0042 0.021 1
Leishmania major silent information regulator 2, putative 0.0107 0.0889 1
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0042 0.021 0.0632
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0572 0.0572
Trichomonas vaginalis hypothetical protein 0.0189 0.1751 0.2706
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0595 0.5988 1
Brugia malayi celfurPC protein 0.079 0.8022 0.8022
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Schistosoma mansoni dihydrofolate reductase 0.0085 0.0665 0.0665
Schistosoma mansoni hypothetical protein 0.0189 0.1751 0.1751
Schistosoma mansoni hypothetical protein 0.0041 0.0202 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0572 0.0572
Toxoplasma gondii subtilisin SUB4 0.0042 0.021 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0231 0.2188 0.2188
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0042 0.021 0.0632
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0039 0.0179 0.0179
Trypanosoma brucei subtilisin peptidase 0.0042 0.021 0.1236
Echinococcus multilocularis membrane bound transcription factor site 1 0.0042 0.021 0.0247
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0511 0.5108 0.5108
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.0558 0.0558
Schistosoma mansoni chromatin regulatory protein sir2 0.0218 0.2052 0.2052
Brugia malayi Subtilase family protein 0.0042 0.021 0.021
Chlamydia trachomatis dihydrofolate reductase 0.0085 0.0665 0.5
Plasmodium falciparum subtilisin-like protease 1 0.0042 0.021 1
Loa Loa (eye worm) leucine Rich Repeat family protein 0.0024 0.0027 0.0027
Loa Loa (eye worm) transcriptional regulator 0.0039 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0218 0.2052 0.2052
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0039 0.0179 0.6793
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Schistosoma mansoni chromatin regulatory protein sir2 0.0039 0.0179 0.0179
Schistosoma mansoni site-1 peptidase (S08 family) 0.0042 0.021 0.021
Toxoplasma gondii subtilisin SUB1 0.0042 0.021 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0349 0.0412
Echinococcus multilocularis chromatin regulatory protein sir2 0.0107 0.0889 0.1049
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Loa Loa (eye worm) subtilase 0.0042 0.021 0.021
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0595 0.5988 0.7064
Brugia malayi Furin-like cysteine rich region family protein 0.0026 0.0049 0.0049
Schistosoma mansoni chromatin regulatory protein sir2 0.0039 0.0179 0.0179
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0401 0.0401
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0107 0.0889 1
Toxoplasma gondii subtilisin SUB7 0.0042 0.021 1
Toxoplasma gondii subtilisin SUB12 0.0042 0.021 1
Schistosoma mansoni furin-1 (S08 family) 0.0426 0.4221 0.4221
Toxoplasma gondii subtilisin SUB2 0.0042 0.021 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0107 0.0889 1
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0042 0.021 0.0632
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0042 0.021 0.1236
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0039 0.0179 0.6793
Brugia malayi transcriptional regulator, Sir2 family protein 0.0039 0.0179 0.0179
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0107 0.0889 0.1049
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0572 0.0572
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0042 0.021 0.1236
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0107 0.0889 1
Echinococcus granulosus chromatin regulatory protein sir2 0.0107 0.0889 0.0889
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0042 0.021 0.0632
Schistosoma mansoni chromatin regulatory protein sir2 0.0107 0.0889 0.0889
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0218 0.2052 0.5519
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0595 0.5988 0.5988
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Loa Loa (eye worm) TK/EGFR protein kinase 0.0026 0.0049 0.0049
Echinococcus multilocularis epidermal growth factor receptor 0.0026 0.0049 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0572 0.0572
Giardia lamblia Furin precursor putative serine protease 0.0189 0.1751 0.4631
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Leishmania major subtilisin-like serine peptidase 0.0042 0.021 0.1236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0401 0.0401
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0506 0.0563
Schistosoma mansoni serine/threonine protein kinase 0.0511 0.5108 0.5108
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Toxoplasma gondii subtilisin SUB5 0.0042 0.021 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0189 0.1751 0.2706
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Schistosoma mansoni site-1 peptidase (S08 family) 0.0042 0.021 0.021
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0085 0.0665 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.021 0.0053
Loa Loa (eye worm) hypothetical protein 0.0179 0.1646 0.1646
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0075 0.0558 0.0558
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Onchocerca volvulus 0.0042 0.021 1
Toxoplasma gondii subtilisin SUB8 0.0042 0.021 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.006 0.0401 0.0401
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0572 0.0572
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0107 0.0889 0.1222
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0218 0.2052 0.3224
Giardia lamblia Hypothetical protein 0.0107 0.0889 0.2092
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0572 0.0572
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0202 0.0202
Leishmania major sir2-family protein-like protein 0.0039 0.0179 0.084
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0349 0.0349
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0979 1 1
Brugia malayi dihydrofolate reductase family protein 0.0085 0.0665 0.0665
Giardia lamblia High cysteine membrane protein Group 2 0.0364 0.3573 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Brugia malayi neuroendocrine convertase 1 precursor 0.0615 0.62 0.62
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0218 0.2052 0.2421
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0349 0.0349
Schistosoma mansoni chromatin regulatory protein sir2 0.0107 0.0889 0.0889
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0107 0.0889 0.1222
Brugia malayi transcriptional regulator, Sir2 family protein 0.0107 0.0889 0.0889
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0349 0.0349
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Toxoplasma gondii subtilisin SUB11 0.0042 0.021 1
Loa Loa (eye worm) sirtuin 4 0.0039 0.0179 0.0179
Plasmodium falciparum subtilisin-like protease 2 0.0042 0.021 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0085 0.0665 1
Plasmodium vivax subtilisin-like protease 1 0.0042 0.021 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0595 0.5988 1
Echinococcus granulosus allatostatin A receptor 0.0034 0.0124 0.0124
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8477 0.8477
Loa Loa (eye worm) dihydrofolate reductase 0.0085 0.0665 0.0665
Brugia malayi Dihydrofolate reductase 0.0085 0.0665 0.0665
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0218 0.2052 0.3224
Echinococcus granulosus epidermal growth factor receptor 0.0026 0.0049 0.0049
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0034 0.0124 0.0124
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0572 0.0674
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0349 0.0349
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0042 0.021 0.021
Toxoplasma gondii histone deacetylase SIR2 0.0039 0.0179 0.6793
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0107 0.0889 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0107 0.0889 0.0889
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0572 0.0572
Echinococcus multilocularis Furin 1 0.0231 0.2188 0.2581
Brugia malayi proprotein convertase 2 0.0615 0.62 0.62
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0042 0.021 0.0632
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0189 0.1751 0.2706
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0042 0.021 0.0632
Echinococcus granulosus dihydrofolate reductase 0.0085 0.0665 0.0665
Loa Loa (eye worm) hypothetical protein 0.0065 0.0454 0.0454
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.063 0.063
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0042 0.021 0.021
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.021 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0231 0.2188 0.3458
Loa Loa (eye worm) transcriptional regulator 0.0107 0.0889 0.0889
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0042 0.021 0.1236
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Plasmodium vivax subtilisin-like serine protease, putative 0.0042 0.021 1
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0042 0.021 0.021
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0042 0.021 0.1236
Toxoplasma gondii histone deacetylase SIR2-like 0.0039 0.0179 0.6793
Echinococcus granulosus tar DNA binding protein 0.0076 0.0572 0.0572
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0572 0.0572
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Echinococcus multilocularis dihydrofolate reductase 0.0085 0.0665 0.0785
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8477 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0039 0.0179 0.084
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0349 0.0412
Trypanosoma brucei SIR2-like protein 4, putative 0.0039 0.0179 0.084
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0039 0.0179 0.084
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.063 0.063
Loa Loa (eye worm) RNA binding protein 0.0076 0.0572 0.0572
Schistosoma mansoni tyrosine kinase 0.0026 0.0049 0.0049
Toxoplasma gondii subtilisin SUB10 0.0042 0.021 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.021 0.0053
Echinococcus granulosus Furin 1 0.0231 0.2188 0.2188
Loa Loa (eye worm) proprotein convertase 2 0.0231 0.2188 0.2188
Schistosoma mansoni chromatin regulatory protein sir2 0.0039 0.0179 0.0179
Loa Loa (eye worm) endoprotease bli-4 0.0979 1 1
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0042 0.021 0.0632
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Echinococcus multilocularis neuroendocrine convertase 2 0.0615 0.62 0.7314
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.1751 0.2706
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0218 0.2052 0.2052
Loa Loa (eye worm) hypothetical protein 0.0034 0.0124 0.0124
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0039 0.0179 0.0211

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 1.9953 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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