Detailed information for compound 1425805

Basic information

Technical information
  • TDR Targets ID: 1425805
  • Name: 7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfony lbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2- one
  • MW: 489.586 | Formula: C27H27N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CN(C(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)C(c2c(N1)ccc(c2)C)c1ccccc1
  • InChi: 1S/C27H27N3O4S/c1-19-9-14-24-23(17-19)26(20-7-3-2-4-8-20)30(18-25(31)28-24)27(32)21-10-12-22(13-11-21)35(33,34)29-15-5-6-16-29/h2-4,7-14,17,26H,5-6,15-16,18H2,1H3,(H,28,31)
  • InChiKey: JAVHDMVZXOBZCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methyl-4-[oxo-(4-1-pyrrolidinylsulfonylphenyl)methyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
  • 7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
  • EU-0020900
  • Oprea1_471577
  • C076-0572
  • NCGC00103860-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Brugia malayi jmjC domain containing protein 0.0048 0.011 0.011
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.1143 0.4041 1
Schistosoma mansoni topbp1 0.0101 0.0301 0.0678
Schistosoma mansoni hypothetical protein 0.058 0.2022 0.4554
Echinococcus multilocularis mothers against decapentaplegic 6 0.0085 0.0245 0.0605
Loa Loa (eye worm) glutaminase 0.0293 0.0992 0.0992
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0021 0.0013 0.0014
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0013 0.0032
Echinococcus granulosus Aminotransferase class III 0.0021 0.0013 0.0032
Trypanosoma cruzi FHA domain containing protein, putative 0.0101 0.0301 0.1585
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0013 0.0013
Echinococcus multilocularis tar DNA binding protein 0.1119 0.3955 0.9788
Brugia malayi Pax transcription activation domain interacting protein 0.0101 0.0301 0.0301
Echinococcus multilocularis nibrin 0.0101 0.0301 0.0745
Schistosoma mansoni smad 0.0085 0.0245 0.0551
Schistosoma mansoni chromosome transmission fidelity factor 0.0101 0.0301 0.0678
Schistosoma mansoni hypothetical protein 0.0112 0.034 0.0765
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0749 0.2627 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.1143 0.4041 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0101 0.0301 0.0728
Brugia malayi Calcitonin receptor-like protein seb-1 0.1834 0.6524 0.6524
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Echinococcus multilocularis geminin 0.0138 0.0433 0.1071
Echinococcus multilocularis mothers against decapentaplegic 5 0.0191 0.0624 0.1543
Echinococcus granulosus 26S proteasome regulatory subunit N11 0.0021 0.0012 0.0031
Schistosoma mansoni hypothetical protein 0.058 0.2022 0.4554
Echinococcus multilocularis 26S proteasome regulatory subunit N11 0.0021 0.0012 0.0031
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Brugia malayi Probable ClpP-like protease 0.1143 0.4041 0.4041
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Onchocerca volvulus 0.0786 0.2759 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0546 0.19 1
Plasmodium vivax sentrin-specific protease 1, putative 0.0046 0.0102 0.0253
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.034 0.084
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.058 0.2022 0.5004
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.011 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.024 0.0799 0.1978
Brugia malayi glutaminase DH11.1 0.0293 0.0992 0.0992
Trypanosoma cruzi PAB1-binding protein , putative 0.0546 0.19 1
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Echinococcus granulosus Smad4 0.0191 0.0624 0.1543
Schistosoma mansoni DNA ligase IV 0.0101 0.0301 0.0678
Echinococcus granulosus lysine specific demethylase 5A 0.0048 0.011 0.0272
Loa Loa (eye worm) hypothetical protein 0.058 0.2022 0.2022
Entamoeba histolytica hypothetical protein 0.0101 0.0301 0.8838
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0046 0.0102 0.0102
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0147 0.0465 0.1136
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0147 0.0465 0.4082
Brugia malayi hypothetical protein 0.0786 0.2759 0.2759
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Brugia malayi hypothetical protein 0.0112 0.034 0.034
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0048 0.011 0.0272
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0021 0.0013 0.0014
Loa Loa (eye worm) MH1 domain-containing protein 0.0191 0.0624 0.0624
Brugia malayi MH2 domain containing protein 0.0191 0.0624 0.0624
Schistosoma mansoni jumonji domain containing protein 0.0048 0.011 0.0247
Echinococcus granulosus GPCR family 2 0.058 0.2022 0.5004
Loa Loa (eye worm) TAR-binding protein 0.1119 0.3955 0.3955
Schistosoma mansoni jumonji/arid domain-containing protein 0.0048 0.011 0.0247
Schistosoma mansoni smad 0.0191 0.0624 0.1404
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0301 0.2233
Schistosoma mansoni hypothetical protein 0.0245 0.0818 0.1842
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.058 0.2022 0.2022
Loa Loa (eye worm) transcription factor SMAD2 0.2802 1 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0085 0.0245 0.0605
Echinococcus granulosus geminin 0.0138 0.0433 0.1071
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0101 0.0301 0.2233
Trichomonas vaginalis replication factor C large subunit, putative 0.0101 0.0301 0.2233
Toxoplasma gondii LsmAD domain-containing protein 0.0546 0.19 0.4701
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0659 0.2306 0.5706
Brugia malayi hypothetical protein 0.0353 0.1205 0.1205
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Echinococcus granulosus sentrin specific protease 1 0.0046 0.0102 0.0253
Schistosoma mansoni peptidase Clp (S14 family) 0.1143 0.4041 0.91
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0048 0.011 0.0272
Brugia malayi mothers against decapentaplegic homolog 3 0.0085 0.0245 0.0245
Echinococcus multilocularis lysine specific demethylase 5A 0.0048 0.011 0.0272
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0013 0.0032
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0021 0.0013 0.0014
Entamoeba histolytica hypothetical protein 0.0112 0.034 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0147 0.0465 0.1749
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0101 0.0301 0.0745
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Brugia malayi MH1 domain containing protein 0.0191 0.0624 0.0624
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Leishmania major hypothetical protein, conserved 0.0546 0.19 1
Loa Loa (eye worm) RNA binding protein 0.1119 0.3955 0.3955
Schistosoma mansoni jumonji/arid domain-containing protein 0.0048 0.011 0.0247
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0046 0.0102 0.2862
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0153 0.0344
Brugia malayi hypothetical protein 0.0546 0.19 0.19
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0749 0.2627 0.6496
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0394 0.1352 0.2809
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.024 0.0799 0.1978
Echinococcus granulosus peptidase Clp S14 family 0.0749 0.2627 0.6502
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0021 0.0013 0.0014
Mycobacterium ulcerans acetylornithine aminotransferase 0.0021 0.0013 0.0014
Toxoplasma gondii ATPase, AAA family protein 0.0101 0.0301 0.0745
Entamoeba histolytica hypothetical protein 0.0112 0.034 1
Entamoeba histolytica hypothetical protein 0.0112 0.034 1
Brugia malayi latrophilin 2 splice variant baaae 0.1254 0.444 0.444
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.024 0.0799 0.0799
Brugia malayi hypothetical protein 0.0101 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0101 0.0301 0.2233
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Schistosoma mansoni Smad4 0.0085 0.0245 0.0551
Trichomonas vaginalis glucosylceramidase, putative 0.0145 0.0459 0.4015
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Loa Loa (eye worm) MH2 domain-containing protein 0.0085 0.0245 0.0245
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0191 0.0624 0.1404
Schistosoma mansoni glutaminase 0.0293 0.0992 0.2234
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative 0.0021 0.0012 0.0031
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0021 0.0013 0.0014
Loa Loa (eye worm) MH2 domain-containing protein 0.0191 0.0624 0.0624
Toxoplasma gondii hypothetical protein 0.0394 0.1352 0.3345
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0007 0.0007
Schistosoma mansoni smad1 5 8 and 0.0191 0.0624 0.1404
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Brugia malayi Latrophilin receptor protein 2 0.058 0.2022 0.2022
Echinococcus multilocularis GPCR, family 2 0.058 0.2022 0.5004
Loa Loa (eye worm) hypothetical protein 0.1143 0.4041 0.4041
Schistosoma mansoni tar DNA-binding protein 0.1119 0.3955 0.8907
Echinococcus multilocularis replication factor c subunit 1 0.0101 0.0301 0.0745
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0394 0.1352 0.3345
Loa Loa (eye worm) nuclear factor I 0.0106 0.0317 0.0317
Onchocerca volvulus 0.006 0.0153 0.0553
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.1143 0.4041 1
Entamoeba histolytica hypothetical protein 0.0112 0.034 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0101 0.0301 0.2233
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.058 0.2022 0.5004
Schistosoma mansoni topbp1 0.0101 0.0301 0.0678
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Loa Loa (eye worm) hypothetical protein 0.006 0.0153 0.0153
Echinococcus granulosus tumor protein p63 0.0408 0.1403 0.3473
Loa Loa (eye worm) hypothetical protein 0.1834 0.6524 0.6524
Echinococcus granulosus replication factor c subunit 1 0.0101 0.0301 0.0745
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0007 0.0039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.024 0.0799 0.18
Brugia malayi MH2 domain containing protein 0.0191 0.0624 0.0624
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.024 0.0799 0.1978
Plasmodium falciparum ornithine aminotransferase 0.0021 0.0013 0.0032
Schistosoma mansoni hypothetical protein 0.0138 0.0433 0.0975
Brugia malayi MH1 domain containing protein 0.0106 0.0317 0.0317
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0013 0.0029
Loa Loa (eye worm) hypothetical protein 0.035 0.1195 0.1195
Echinococcus multilocularis sentrin specific protease 1 0.0046 0.0102 0.0253
Echinococcus granulosus TGF beta signal transducer SmadC 0.0191 0.0624 0.1543
Echinococcus multilocularis mothers against decapentaplegic 2 0.0085 0.0245 0.0605
Brugia malayi TAR-binding protein 0.1119 0.3955 0.3955
Schistosoma mansoni smad1 5 8 and 0.0191 0.0624 0.1404
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1119 0.3955 0.3955
Loa Loa (eye worm) Smad1 0.0191 0.0624 0.0624
Schistosoma mansoni Smad4 0.0191 0.0624 0.1404
Schistosoma mansoni tar DNA-binding protein 0.1119 0.3955 0.8907
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.035 0.1195 0.4331
Trypanosoma brucei PAB1-binding protein , putative 0.0546 0.19 1
Brugia malayi N-terminal motif family protein 0.035 0.1195 0.1195
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0021 0.0013 0.0014
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0013 0.0032
Schistosoma mansoni smad1 5 8 and 0.0191 0.0624 0.1404
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0301 0.2233
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0101 0.0301 0.0715
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0007 0.0007
Plasmodium vivax replication factor C subunit 1, putative 0.0101 0.0301 0.0745
Brugia malayi topoisomerase 0.0101 0.0301 0.0301
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1834 0.6524 0.6524
Echinococcus multilocularis Smad4 0.0191 0.0624 0.1543
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0101 0.0301 0.1585
Plasmodium falciparum replication factor C subunit 1, putative 0.0101 0.0301 0.0745
Plasmodium falciparum ataxin-2 like protein, putative 0.0546 0.19 0.4701
Brugia malayi hypothetical protein 0.0101 0.0301 0.0301
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.024 0.0799 0.1978
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0021 0.0013 0.0022
Brugia malayi RNA binding protein 0.1119 0.3955 0.3955
Brugia malayi DKFZp564C0469 protein 0.0101 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III 0.0021 0.0012 0.0012
Echinococcus granulosus mothers against decapentaplegic 2 0.0085 0.0245 0.0605
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0.0301 0.1585
Brugia malayi RNA recognition motif domain containing protein 0.1119 0.3955 0.3955
Echinococcus granulosus mothers against decapentaplegic 5 0.0191 0.0624 0.1543
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0013 0.0032
Brugia malayi MH1 domain containing protein 0.0191 0.0624 0.0624
Echinococcus multilocularis tumor protein p63 0.0408 0.1403 0.3473
Plasmodium vivax ataxin-2 like protein, putative 0.0546 0.19 0.4701
Mycobacterium ulcerans hypothetical protein 0.0147 0.0465 0.1136
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0101 0.0301 0.0728
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Schistosoma mansoni tar DNA-binding protein 0.1119 0.3955 0.8907
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0147 0.0465 0.1136
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.021 0.0692 0.0692
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0191 0.0624 0.1543
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0007 0.0007
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0085 0.0245 0.0886
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0046 0.0102 0.0253
Loa Loa (eye worm) hypothetical protein 0.0046 0.0102 0.0102
Schistosoma mansoni hypothetical protein 0.0138 0.0433 0.0975
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0007 0.0039
Mycobacterium tuberculosis Probable aminotransferase 0.0147 0.0465 0.1749
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0101 0.0301 0.8838
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.021 0.0692 0.0692
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0046 0.0102 0.0231
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Loa Loa (eye worm) MH2 domain-containing protein 0.2802 1 1
Echinococcus granulosus nibrin 0.0101 0.0301 0.0745
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0013 0.0032
Brugia malayi Smad1 0.0191 0.0624 0.0624
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0046 0.0102 0.0231
Loa Loa (eye worm) hypothetical protein 0.1254 0.444 0.444
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.1143 0.4041 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.058 0.2022 0.2022
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative 0.0021 0.0012 0.0151
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0106 0.0317 0.0317
Onchocerca volvulus Glucosylceramidase homolog 0.0138 0.0433 0.1569
Schistosoma mansoni hypothetical protein 0.058 0.2022 0.4554
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0301 0.2233
Trichomonas vaginalis glucosylceramidase, putative 0.0145 0.0459 0.4015
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.1143 0.4041 1
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0301 0.2233
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.024 0.0799 0.0799
Plasmodium falciparum sentrin-specific protease 1 0.0046 0.0102 0.0253
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0.0013 0.0032
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0245 0.0818 0.2024
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0.0301 0.1585
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0101 0.0301 0.0301
Mycobacterium ulcerans L-lysine aminotransferase 0.0021 0.0013 0.0014
Echinococcus granulosus tar DNA binding protein 0.1119 0.3955 0.9788
Loa Loa (eye worm) hypothetical protein 0.0101 0.0301 0.0301
Giardia lamblia Replication factor C, subunit 1 0.0101 0.0301 0.5
Echinococcus granulosus smad 0.0191 0.0624 0.1543
Echinococcus multilocularis peptidase Clp (S14 family) 0.0749 0.2627 0.6502
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0021 0.0013 0.0022
Loa Loa (eye worm) hypothetical protein 0.0085 0.0245 0.0245
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.058 0.2022 0.5004
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.034 0.0765
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative 0.0021 0.0012 0.0031
Loa Loa (eye worm) glutaminase 2 0.0293 0.0992 0.0992
Schistosoma mansoni hypothetical protein 0.1254 0.444 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0394 0.1352 0.3345
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0101 0.0301 0.2233
Schistosoma mansoni Smad4 0.0085 0.0245 0.0551
Schistosoma mansoni hypothetical protein 0.058 0.2022 0.4554
Loa Loa (eye worm) hypothetical protein 0.0546 0.19 0.19
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0749 0.2627 1
Toxoplasma gondii proteasome regulatory subunit 0.0021 0.0012 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.024 0.0799 0.18
Mycobacterium ulcerans glutaminase 0.0293 0.0992 0.2441
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0021 0.0013 0.0022
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0245 0.0818 0.2024
Brugia malayi jmjC domain containing protein 0.0048 0.011 0.011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1834 0.6524 0.6524
Loa Loa (eye worm) MH1 domain-containing protein 0.0085 0.0245 0.0245
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.058 0.2022 0.5004
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0007 0.0039
Schistosoma mansoni tar DNA-binding protein 0.1119 0.3955 0.8907
Echinococcus multilocularis smad 0.0191 0.0624 0.1543
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0021 0.0013 0.0022
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0394 0.1352 0.3333
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Chlamydia trachomatis DNA ligase 0.0101 0.0301 0.0715
Onchocerca volvulus 0.0101 0.0301 0.1091
Plasmodium falciparum ataxin-2 like protein, putative 0.0546 0.19 0.4701
Brugia malayi 26S proteasome regulatory subunit rpn11 0.0021 0.0012 0.0012
Onchocerca volvulus 0.0019 0.0007 0.0027
Brugia malayi MH1 domain containing protein 0.0106 0.0317 0.0317
Brugia malayi MH2 domain containing protein 0.0085 0.0245 0.0245
Schistosoma mansoni tar DNA-binding protein 0.1119 0.3955 0.8907
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.024 0.0799 0.18
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0021 0.0013 0.0014
Loa Loa (eye worm) hypothetical protein 0.0786 0.2759 0.2759
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.0433 0.3715
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 0.0021 0.0012 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0301 0.2233
Trichomonas vaginalis glutaminase, putative 0.0293 0.0992 1
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0692 0.663
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.034 0.084

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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