Detailed information for compound 1449220

Basic information

Technical information
  • TDR Targets ID: 1449220
  • Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroind ol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
  • MW: 341.427 | Formula: C18H19N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)C1CC1)C
  • InChi: 1S/C18H19N3O2S/c1-10-16(20-18(24-10)19-11(2)22)14-5-6-15-13(9-14)7-8-21(15)17(23)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20,22)
  • InChiKey: NLHCWRZQIYHFMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[1-(cyclopropanecarbonyl)indolin-5-yl]-5-methyl-thiazol-2-yl]acetamide
  • N-[4-[1-(cyclopropyl-oxomethyl)-5-indolinyl]-5-methyl-2-thiazolyl]acetamide
  • N-[4-(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]ethanamide
  • ASN 06955160
  • ZINC04893288

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 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
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0086 0.0181
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.0468 0.1358
Plasmodium vivax hypothetical protein, conserved 0.0033 0.021 0.3714
Trichomonas vaginalis ap endonuclease, putative 0.0036 0.0237 0.1103
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.021 0.067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.001 0.0032
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0094 0.0837 0.2673
Loa Loa (eye worm) hypothetical protein 0.0019 0.0061 0.0087
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0036 0.0237 0.0646
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0468 0.1358
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0468 0.1358
Leishmania major hypothetical protein, conserved 0.0067 0.0556 0.1629
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0468 0.0715
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.007 0.007
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.0996 0.3184
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0016 0.0028 0.0035
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0087 0.0183
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0468 0.1496
Mycobacterium ulcerans hypothetical protein 0.0173 0.1659 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0018 0.0051 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0195
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0083 0.0726 0.1094
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0061 0.0066
Plasmodium falciparum importin beta, putative 0.0022 0.0086 0.3513
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0468 0.1496
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0487 0.0744
Brugia malayi Hemopexin family protein 0.0097 0.0867 0.1313
Loa Loa (eye worm) hypothetical protein 0.0068 0.0572 0.0875
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.0468 0.1358
Schistosoma mansoni hypothetical protein 0.0249 0.2438 0.7789
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0036 0.0237 0.0757
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0087 0.0127
Trypanosoma cruzi importin beta-1 subunit, putative 0.0017 0.0044 0.0051
Trypanosoma brucei protein kinase, putative 0.0058 0.0468 0.1358
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0324 0.1035
Leishmania major cytochrome p450-like protein 0.0022 0.0087 0.0183
Leishmania major importin beta-1 subunit, putative 0.0017 0.0044 0.0051
Onchocerca volvulus Matrix metalloproteinase homolog 0.0152 0.1434 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0044 0.0088
Trichomonas vaginalis penicillin-binding protein, putative 0.0067 0.0556 0.2784
Echinococcus granulosus snurportin 1 0.023 0.224 0.7157
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0018 0.0051 0.0162
Echinococcus multilocularis importin subunit beta 1 0.0022 0.0086 0.0086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.0919 0.0919
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0036 0.0237 0.0646
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0468 0.0468
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0343 0.0972
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Onchocerca volvulus 0.0097 0.0867 0.5374
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Brugia malayi T-complex protein 1, beta subunit 0.0018 0.0051 0.005
Onchocerca volvulus 0.0067 0.0556 0.2832
Trypanosoma brucei hypothetical protein, conserved 0.0067 0.0556 0.1629
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0036 0.0237 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.1477 0.4467
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0195
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.0468 0.1358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.0919 0.1394
Echinococcus granulosus histone lysine methyltransferase setb 0.0014 0.001 0.0032
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0067 0.0556 0.0832
Mycobacterium ulcerans esterase/lipase LipP 0.0067 0.0556 0.2985
Echinococcus multilocularis dnaJ subfamily B 0.0316 0.313 0.313
Brugia malayi RNA, U transporter 1 0.0061 0.0497 0.074
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0329 0.3272 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.021 0.0316
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0018 0.0051 0.0162
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.3272 1
Giardia lamblia PHD finger protein 15 0.0033 0.021 0.4131
Brugia malayi beta-lactamase 0.0067 0.0556 0.0832
Brugia malayi MAP kinase sur-1 0.0058 0.0468 0.0696
Echinococcus granulosus GTP binding nuclear protein Ran 0.0016 0.0028 0.0088
Mycobacterium tuberculosis Conserved protein 0.0067 0.0556 0.0788
Toxoplasma gondii exonuclease III APE 0.0036 0.0237 0.2893
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.0468 0.6085
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0018 0.0051 0.11
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0049 0.0367 0.1172
Schistosoma mansoni cpg binding protein 0.0048 0.0364 0.1163
Loa Loa (eye worm) PHD-finger family protein 0.0016 0.0029 0.0037
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0049 0.0367 0.0367
Trichomonas vaginalis esterase, putative 0.0067 0.0556 0.2784
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.0919 0.2937
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0468 0.1496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.0919 0.2937
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0148 0.6176
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.001 0.0032
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0036 0.0237 0.0646
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0468 0.2321
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0044 0.0088
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0249 0.2437 0.2437
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0028 0.0151 0.0482
Loa Loa (eye worm) hypothetical protein 0.0055 0.0429 0.0654
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0448 0.1295
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.1659 0.351
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0068 0.0572 0.1826
Leishmania major mitochondrial DNA polymerase beta 0.0329 0.3272 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0087 0.0127
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0087 0.0127
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0343 0.0972
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0036 0.0237 0.0237
Plasmodium vivax importin-beta 2, putative 0.0022 0.0086 0.148
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0016 0.0028 0.0983
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.0556 0.1629
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0016 0.0028 0.0015
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0087 0.0183
Echinococcus multilocularis cpg binding protein 0.0048 0.0364 0.0364
Brugia malayi Matrixin family protein 0.0068 0.0572 0.0856
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0067 0.0556 0.0788
Schistosoma mansoni polycystin 1-related 0.0027 0.0148 0.0472
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0022 0.0091 0.029
Loa Loa (eye worm) hypothetical protein 0.0057 0.0457 0.0697
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0006 0.0018
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.0237 0.4212
Loa Loa (eye worm) hypothetical protein 0.0041 0.029 0.044
Loa Loa (eye worm) CXXC zinc finger family protein 0.0044 0.0322 0.049
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0468 0.2321
Schistosoma mansoni zinc finger protein 0.0018 0.0046 0.0148
Brugia malayi jmjC domain containing protein 0.0044 0.0324 0.0473
Trichomonas vaginalis chaperonin, putative 0.0018 0.0051 0.0121
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0148 0.0372
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0148 0.0372
Loa Loa (eye worm) hypothetical protein 0.0068 0.0572 0.0875
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0018 0.0051 0.0071
Brugia malayi Matrixin family protein 0.0068 0.0572 0.0856
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.128 0.1968
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0018 0.0051 0.0051
Brugia malayi hypothetical protein 0.0018 0.0047 0.0045
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0148 0.1666
Mycobacterium ulcerans beta-lactamase 0.0067 0.0556 0.2985
Schistosoma mansoni ap endonuclease 0.0036 0.0237 0.0757
Schistosoma mansoni ran 0.0016 0.0028 0.0088
Brugia malayi beta-lactamase family protein 0.0067 0.0556 0.0832
Brugia malayi PHD-finger family protein 0.0022 0.0089 0.0109
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0017 0.0054
Toxoplasma gondii t-complex protein beta subunit 0.0018 0.0051 0.0318
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Schistosoma mansoni importin beta-1 0.0022 0.0086 0.0276
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0468 0.0468
Onchocerca volvulus 0.0068 0.0572 0.2957
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0343 0.0972
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0061 0.0061
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.1477 0.4467
Brugia malayi jmjC domain containing protein 0.0109 0.0996 0.1513
Echinococcus multilocularis geminin 0.0249 0.2438 0.2438
Mycobacterium ulcerans hypothetical protein 0.0067 0.0556 0.2985
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0061 0.0195
Loa Loa (eye worm) hypothetical protein 0.0068 0.0572 0.0875
Mycobacterium ulcerans hydrolase 0.0083 0.0726 0.4064
Loa Loa (eye worm) matrixin family protein 0.0152 0.1434 0.2205
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0083 0.0726 0.1207
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.0556 0.2784
Loa Loa (eye worm) T-complex protein 1 0.0018 0.0051 0.0071
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.021 0.067
Loa Loa (eye worm) matrix metalloproteinase 0.0068 0.0572 0.0875
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0199 0.1926 0.2965
Brugia malayi beta-lactamase family protein 0.0067 0.0556 0.0832
Echinococcus granulosus zinc finger protein 0.0018 0.0046 0.0148
Echinococcus granulosus peregrin 0.0035 0.0229 0.073
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.129 0.6648
Leishmania major hypothetical protein, conserved 0.0027 0.0148 0.0372
Onchocerca volvulus 0.0044 0.0322 0.0922
Giardia lamblia TCP-1 chaperonin subunit beta 0.0018 0.0051 0.0523
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0008
Schistosoma mansoni cpg binding protein 0.0044 0.0322 0.103
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0067 0.0556 0.2985
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0324 0.1035
Onchocerca volvulus 0.0067 0.0556 0.2832
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.023 0.224 0.345
Onchocerca volvulus Matrilysin homolog 0.0152 0.1434 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0487 0.0725
Mycobacterium tuberculosis Probable lipase LipD 0.0067 0.0556 0.0788
Echinococcus granulosus geminin 0.0249 0.2438 0.7789
Schistosoma mansoni hypothetical protein 0.0316 0.313 1
Brugia malayi Matrixin family protein 0.0068 0.0572 0.0856
Brugia malayi exodeoxyribonuclease III family protein 0.0036 0.0237 0.0338
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.0556 0.2784
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0345 0.1102
Schistosoma mansoni cpg binding protein 0.0048 0.0364 0.1163
Onchocerca volvulus Matrilysin homolog 0.0068 0.0572 0.2957
Brugia malayi F/Y-rich N-terminus family protein 0.0026 0.0132 0.0176
Loa Loa (eye worm) hypothetical protein 0.0083 0.0726 0.1113
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.129 0.6648
Schistosoma mansoni jumonji domain containing protein 0.0087 0.0764 0.244
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0468 0.2321
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.0919 0.1411
Echinococcus multilocularis snurportin 1 0.023 0.224 0.224
Echinococcus granulosus cpg binding protein 0.0048 0.0364 0.1163
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.029 0.042
Brugia malayi Cytochrome P450 family protein 0.0022 0.0087 0.0106
Echinococcus multilocularis peregrin 0.0035 0.0229 0.0229
Brugia malayi Cytochrome P450 family protein 0.0022 0.0087 0.0106
Loa Loa (eye worm) hypothetical protein 0.0035 0.0231 0.0348
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0148 0.6176
Echinococcus multilocularis beta LACTamase domain containing family member 0.0067 0.0556 0.0556
Entamoeba histolytica hypothetical protein 0.0017 0.0044 0.0796
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0468 0.2321
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0343 0.0972
Schistosoma mansoni bromodomain containing protein 0.0051 0.0395 0.1263
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0148 0.0372
Brugia malayi hypothetical protein 0.0027 0.0148 0.0201
Mycobacterium tuberculosis Conserved protein 0.0067 0.0556 0.0788
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0324 0.1035
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.007 0.0224
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.007 0.0224
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.128 0.1968
Echinococcus granulosus dnaJ subfamily B 0.0316 0.313 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.021 0.2514
Brugia malayi Matrixin family protein 0.0068 0.0572 0.0856
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1926 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0487 0.0725
Plasmodium falciparum T-complex protein 1 subunit beta 0.0018 0.0051 0.1975
Schistosoma mansoni ran 0.0016 0.0028 0.0088
Brugia malayi PHD-finger family protein 0.0033 0.021 0.0296
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Trichomonas vaginalis ap endonuclease, putative 0.0036 0.0237 0.1103
Echinococcus multilocularis zinc finger protein 0.0018 0.0046 0.0046
Mycobacterium tuberculosis Conserved protein 0.0067 0.0556 0.0788
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0061 0.0061
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0148 0.2601
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0036 0.0237 0.0955
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0016 0.0028 0.0414
Echinococcus granulosus beta LACTamase domain containing family member 0.0067 0.0556 0.1777
Toxoplasma gondii HEAT repeat-containing protein 0.0022 0.0086 0.0812
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0199 0.1926 0.2951
Loa Loa (eye worm) beta-lactamase 0.0067 0.0556 0.0851
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0061 0.0087
Mycobacterium tuberculosis Probable esterase LipL 0.0067 0.0556 0.0788
Brugia malayi Importin beta-1 subunit 0.0022 0.0086 0.0105
Schistosoma mansoni ap endonuclease 0.0036 0.0237 0.0757
Schistosoma mansoni hypothetical protein 0.0016 0.0029 0.0091
Loa Loa (eye worm) hypothetical protein 0.0027 0.0148 0.0221
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.0468 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0487 0.0744
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0087 0.0183
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0255
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0578 0.0884
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0324 0.0492
Mycobacterium ulcerans lipase LipD 0.0067 0.0556 0.2985
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0036 0.0237 0.0646
Plasmodium vivax hypothetical protein, conserved 0.0067 0.0556 1
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.0468 0.1358
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.021 0.2514
Brugia malayi Angiotensin-converting enzyme family protein 0.0639 0.6483 1
Brugia malayi Bromodomain containing protein 0.0035 0.0229 0.0325
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0036 0.0237 0.4754
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.0556 0.1629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.0919 0.2937
Loa Loa (eye worm) histone methyltransferase 0.0014 0.0006 0.0001
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.0468 0.1358
Mycobacterium tuberculosis Probable hydrolase 0.0067 0.0556 0.0788
Trichomonas vaginalis penicillin-binding protein, putative 0.0067 0.0556 0.2784
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0067 0.0556 0.1777
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Plasmodium falciparum phd finger protein, putative 0.0033 0.021 0.8819
Schistosoma mansoni hypothetical protein 0.0097 0.0867 0.2771
Brugia malayi Matrixin family protein 0.0165 0.1575 0.2408
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0312 0.3092 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0014 0.001 0.001
Brugia malayi MH2 domain containing protein 0.0137 0.128 0.1951
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0006 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0061 0.0195
Onchocerca volvulus Glucosylceramidase homolog 0.0131 0.1217 0.8229
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0061 0.0066
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0156 0.1477 0.4467
Loa Loa (eye worm) hypothetical protein 0.0031 0.0189 0.0284
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0018 0.0051 0.0162
Echinococcus multilocularis GPCR, family 2 0.0019 0.0061 0.0061
Loa Loa (eye worm) matrixin family protein 0.0165 0.1575 0.2424
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.0237 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0427 0.4287 1
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0195
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.0919 0.2937
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0067 0.0556 0.1777
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.021 0.021
Treponema pallidum exodeoxyribonuclease (exoA) 0.0036 0.0237 0.5
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0016 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0033 0.021 0.0316
Onchocerca volvulus 0.0067 0.0556 0.2832
Leishmania major T-complex protein 1, beta subunit, putative 0.0018 0.0051 0.0071
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.0556 0.2784
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0851
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0067 0.0556 0.0788
Loa Loa (eye worm) hypothetical protein 0.0015 0.0018 0.0021
Toxoplasma gondii hypothetical protein 0.0053 0.0413 0.533
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0018 0.0051 0.0121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.0919 0.2937
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0067 0.0556 0.0851
Toxoplasma gondii ABC1 family protein 0.0067 0.0556 0.7301
Schistosoma mansoni hypothetical protein 0.023 0.224 0.7157
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0086 0.0181
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0282 0.0282
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.0996 0.0996
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.0919 0.0919
Schistosoma mansoni hypothetical protein 0.0249 0.2438 0.7789
Trichomonas vaginalis importin beta-1, putative 0.0017 0.0044 0.0088
Brugia malayi Bromodomain containing protein 0.006 0.0489 0.0728
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0067 0.0556 0.0788
Echinococcus granulosus importin subunit beta 1 0.0022 0.0086 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.3272 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0017 0.0017
Brugia malayi Bromodomain containing protein 0.003 0.017 0.0234
Mycobacterium tuberculosis Probable lipase LipE 0.0067 0.0556 0.0788
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0018 0.0051 0.0832
Brugia malayi T-complex protein 1, beta subunit 0.0018 0.0051 0.005
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0345 0.0345
Brugia malayi CXXC zinc finger family protein 0.0044 0.0322 0.0471
Schistosoma mansoni hypothetical protein 0.0033 0.021 0.067
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0249 0.2437 0.7787
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0028 0.0151 0.0151
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0018 0.0051 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0086 0.0126
Toxoplasma gondii histone lysine methyltransferase SET1 0.0086 0.0752 1
Echinococcus granulosus GPCR family 2 0.0019 0.0061 0.0195
Mycobacterium leprae PROBABLE HYDROLASE 0.0083 0.0726 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0036 0.0237 0.0358
Schistosoma mansoni hypothetical protein 0.0041 0.029 0.0926
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.1217 0.6265
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0639 0.6483 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1961 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) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 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 (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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