Detailed information for compound 1597928

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 625.585 | Formula: C33H38Cl2N4O4
  • H donors: 1 H acceptors: 2 LogP: 6.06 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(c(c1)OC(C)C)C1=N[C@@H]([C@@H](N1C(=O)NCCC(=O)N(CC)CC)c1ccc(cc1)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C33H38Cl2N4O4/c1-6-38(7-2)29(40)18-19-36-33(41)39-31(23-10-14-25(35)15-11-23)30(22-8-12-24(34)13-9-22)37-32(39)27-17-16-26(42-5)20-28(27)43-21(3)4/h8-17,20-21,30-31H,6-7,18-19H2,1-5H3,(H,36,41)/t30-,31+/m1/s1
  • InChiKey: KSTCLZNHBPVISW-JSOSNVBQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MDM2 proto-oncogene, E3 ubiquitin protein ligase 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0108 0.0238
Plasmodium vivax importin-beta 2, putative 0.0034 0.0291 0.065
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0132 0.0792
Leishmania major GTP-binding protein, putative 0.0025 0.0179 0.1121
Entamoeba histolytica hypothetical protein 0.0042 0.0396 0.4393
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0368 0.1092
Entamoeba histolytica deoxycytidyl transferase, putative 0.0068 0.0718 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0108 0.0196
Plasmodium falciparum thioredoxin reductase 0.0056 0.0562 0.1322
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0179 0.0757
Loa Loa (eye worm) brahma associated protein 0.0013 0.003 0.0067
Trypanosoma cruzi DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0132 0.0792
Mycobacterium ulcerans DNA polymerase IV 0.0068 0.0718 0.1543
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0099 0.0227
Mycobacterium tuberculosis Conserved hypothetical protein 0.0068 0.0718 0.1543
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0021 0.0132 0.0534
Plasmodium falciparum glutathione reductase 0.0056 0.0562 0.1322
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.007
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0179 0.1165
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0068 0.0718 0.069
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0184 0.2164 0.2141
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0144 0.009
Schistosoma mansoni DNA polymerase eta 0.0128 0.1466 0.1441
Trypanosoma brucei DNA polymerase IV, putative 0.0068 0.0718 0.4838
Entamoeba histolytica hypothetical protein 0.0042 0.0396 0.4393
Schistosoma mansoni rotamase 0.0039 0.0358 0.033
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0108 0.0079
Echinococcus multilocularis muscleblind protein 1 0.0175 0.2061 0.2038
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0108 0.0631
Loa Loa (eye worm) hypothetical protein 0.004 0.0368 0.0839
Trypanosoma brucei DNA polymerase IV, putative 0.0068 0.0718 0.4838
Trypanosoma brucei DNA polymerase IV, putative 0.0068 0.0718 0.4838
Leishmania major DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.007
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0144 0.0115
Trypanosoma brucei DNA polymerase eta, putative 0.0128 0.1466 1
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0291 0.0263
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0144 0.0877
Treponema pallidum hypothetical protein 0.0335 0.4058 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0144 0.0115
Schistosoma mansoni ran 0.0025 0.0179 0.015
Onchocerca volvulus 0.0278 0.3346 1
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0132 0.0792
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0108 0.0426
Leishmania major DNA polymerase eta, putative 0.0081 0.088 0.5954
Loa Loa (eye worm) hypothetical protein 0.0128 0.1466 0.3341
Echinococcus granulosus dna polymerase kappa 0.0068 0.0718 0.069
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0396 0.0368
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 0.53
Trypanosoma brucei DNA damage repair protein, putative 0.0021 0.0132 0.0792
Brugia malayi MH1 domain containing protein 0.0019 0.0107 0.0316
Schistosoma mansoni hypothetical protein 0.0042 0.0396 0.0368
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0211 0.134
Brugia malayi MH2 domain containing protein 0.028 0.3374 1
Trypanosoma brucei unspecified product 0.0047 0.0454 0.3017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0099 0.007
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 1
Brugia malayi ImpB/MucB/SamB family protein 0.0068 0.0718 0.2128
Brugia malayi hypothetical protein 0.0042 0.0396 0.1174
Brugia malayi Importin beta-1 subunit 0.0034 0.0291 0.0863
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0562 0.1149
Brugia malayi RNA, U transporter 1 0.0096 0.1072 0.3177
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Onchocerca volvulus 0.0035 0.0306 0.0834
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0144 0.0284
Schistosoma mansoni importin beta-1 0.0034 0.0291 0.0263
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Giardia lamblia DNA damage repair protein 0.0021 0.0132 0.0381
Schistosoma mansoni ap endonuclease 0.0022 0.0144 0.0115
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0108 0.0631
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0184 0.2164 0.53
Plasmodium falciparum thioredoxin reductase 0.0019 0.0108 0.0196
Trypanosoma cruzi DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Entamoeba histolytica hypothetical protein 0.0042 0.0396 0.4393
Trypanosoma cruzi DNA damage repair protein, putative 0.0021 0.0132 0.0792
Echinococcus multilocularis snurportin 1 0.0361 0.4388 0.4371
Brugia malayi polk-prov protein 0.0021 0.0132 0.039
Echinococcus multilocularis GPCR, family 2 0.0019 0.0099 0.007
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0013 0.003 0.0067
Leishmania major DNA polymerase eta, putative 0.0128 0.1466 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0127 0.1452 0.3401
Mycobacterium tuberculosis Probable dehydrogenase 0.0127 0.1452 0.3401
Toxoplasma gondii thioredoxin reductase 0.0056 0.0562 0.2539
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0358 0.0991
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.2924 0.6664
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0144 0.0877
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.1628 0.3848
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0306 0.0277
Echinococcus granulosus mothers against decapentaplegic 5 0.0019 0.0107 0.0077
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.012 0.1373 0.3202
Entamoeba histolytica hypothetical protein 0.0042 0.0396 0.4393
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0144 0.0328
Brugia malayi Muscleblind-like protein 0.0175 0.2061 0.611
Echinococcus multilocularis geminin 0.0199 0.2356 0.2333
Schistosoma mansoni smad1 5 8 and 0.0019 0.0107 0.0077
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.012 0.1373 0.2101
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0184 0.2164 0.4429
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0108 0.0631
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0127 0.1452 0.3401
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Trichomonas vaginalis DNA polymerase eta, putative 0.0068 0.0718 0.2076
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0038 0.0347 0.3532
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0108 0.037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0306 0.0277
Trypanosoma brucei DNA damage repair protein, putative 0.0021 0.0132 0.0792
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0184 0.2164 0.2141
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0108 0.0196
Plasmodium vivax DNA repair protein REV1, putative 0.0021 0.0132 0.0254
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0108 0.0079
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0179 0.0372
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0179 0.1121
Trypanosoma cruzi DNA damage repair protein, putative 0.0021 0.0132 0.0792
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0045 0.0132
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0108 0.0238
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0227
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0144 0.0877
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0099 0.0295
Brugia malayi Thioredoxin reductase 0.0056 0.0562 0.1666
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0306 0.0277
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0562 0.0534
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0099 0.007
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0108 0.0631
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0099 0.007
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0099 0.0295
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0108 0.0196
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0179 0.015
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0099 0.007
Mycobacterium tuberculosis Probable reductase 0.0127 0.1452 0.3401
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0361 0.4388 1
Echinococcus multilocularis microtubule associated protein 2 0.081 1 1
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0335 0.4058 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0107 0.0077
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0306 0.0277
Trichomonas vaginalis set domain proteins, putative 0.0278 0.3346 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Trypanosoma brucei chrX additional, unordered contigs 0.0021 0.0132 0.0792
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0335 0.4058 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0132 0.0792
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0454 0.3017
Brugia malayi MH2 domain containing protein 0.0019 0.0107 0.0316
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0108 0.0426
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0132 0.0792
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0068 0.0718 0.2076
Schistosoma mansoni hypothetical protein 0.0361 0.4388 0.4371
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0184 0.2164 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.2061 0.4698
Brugia malayi brahma associated protein 60 kDa 0.0013 0.003 0.0088
Echinococcus granulosus muscleblind protein 0.0175 0.2061 0.2038
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0184 0.2164 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 1
Echinococcus granulosus snurportin 1 0.0361 0.4388 0.4371
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 0.5206
Toxoplasma gondii peptidylprolyl isomerase 0.0038 0.0347 0.1536
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.007
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0211 0.0548
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0063 0.0659 0.1563
Trypanosoma cruzi DNA polymerase eta, putative 0.0128 0.1466 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0107 0.0077
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.029 0.0261
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0291 0.1277
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0179 0.1121
Leishmania major DNA polymerase kappa, putative 0.0021 0.0132 0.0792
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0108 0.0631
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0068 0.0718 0.069
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 0.5206
Trypanosoma cruzi DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Loa Loa (eye worm) transcription factor SMAD2 0.028 0.3374 0.7689
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0108 0.0426
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0063 0.0659 0.1563
Schistosoma mansoni peptidase Clp (S14 family) 0.0184 0.2164 0.2141
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0013 0.003 0.0058
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0108 0.0079
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0045 0.0132
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0127 0.1452 0.3401
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0335 0.4058 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0179 0.0532
Plasmodium falciparum importin beta, putative 0.0034 0.0291 0.065
Echinococcus granulosus TGF beta signal transducer SmadC 0.0019 0.0107 0.0077
Toxoplasma gondii hypothetical protein 0.0063 0.0659 0.299
Loa Loa (eye worm) hypothetical protein 0.0175 0.2061 0.4698
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0306 0.0277
Schistosoma mansoni Smad4 0.0019 0.0107 0.0077
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0291 0.1893
Brugia malayi glutathione reductase 0.0056 0.0562 0.1666
Loa Loa (eye worm) MH2 domain-containing protein 0.028 0.3374 0.7689
Entamoeba histolytica hypothetical protein 0.0027 0.0211 0.117
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0039 0.0358 0.1062
Leishmania major DNA damage repair protein, putative 0.0021 0.0132 0.0792
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0108 0.0631
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0562 0.0534
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0335 0.4058 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0291 0.0664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.06 0.1367
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0107 0.0243
Schistosoma mansoni hypothetical protein 0.004 0.0368 0.034
Brugia malayi Pre-SET motif family protein 0.0035 0.0306 0.0908
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Brugia malayi Probable ClpP-like protease 0.0184 0.2164 0.6415
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0562 0.1322
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0396 0.0368
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0211 0.0548
Trypanosoma cruzi DNA polymerase eta, putative 0.0081 0.088 0.5954
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0038 0.0347 0.2276
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0396 0.0368
Echinococcus multilocularis smad 0.0019 0.0107 0.0077
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0068 0.0718 0.4838
Trypanosoma cruzi DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0132 0.0792
Schistosoma mansoni ran 0.0025 0.0179 0.015
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0179 0.1121
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.1628 0.3848
Schistosoma mansoni ap endonuclease 0.0022 0.0144 0.0115
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0144 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Echinococcus granulosus expressed protein 0.0039 0.0358 0.033
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0081 0.088 0.4018
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0306 0.1347
Echinococcus multilocularis Smad4 0.0019 0.0107 0.0077
Brugia malayi ImpB/MucB/SamB family protein 0.0128 0.1466 0.4345
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0107 0.0243
Loa Loa (eye worm) hypothetical protein 0.0184 0.2164 0.4933
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0179 0.015
Plasmodium vivax SET domain protein, putative 0.0035 0.0306 0.0687
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0063 0.0659 0.1394
Echinococcus granulosus dna polymerase eta 0.0128 0.1466 0.1441
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0013 0.003 0.0058
Schistosoma mansoni smad 0.0019 0.0107 0.0077
Brugia malayi brahma associated protein 60 kDa 0.0013 0.003 0.0088
Trichomonas vaginalis rotamase, putative 0.0038 0.0347 0.0957
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0306 0.0277
Giardia lamblia DINP protein human, muc B family 0.0068 0.0718 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0068 0.0718 0.1543
Schistosoma mansoni DNA polymerase IV / kappa 0.0021 0.0132 0.0102
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0144 0.0592
Trypanosoma brucei unspecified product 0.0047 0.0454 0.3017
Schistosoma mansoni terminal deoxycytidyl transferase 0.0068 0.0718 0.069
Loa Loa (eye worm) hypothetical protein 0.0059 0.06 0.1367
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0144 0.009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.06 0.1778
Entamoeba histolytica Ran family GTPase 0.0025 0.0179 0.0618
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0108 0.0322
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0068 0.0718 0.069
Echinococcus multilocularis muscleblind protein 0.0175 0.2061 0.2038
Brugia malayi MH2 domain containing protein 0.0019 0.0107 0.0316
Schistosoma mansoni smad1 5 8 and 0.0019 0.0107 0.0077
Plasmodium vivax glutathione reductase, putative 0.0056 0.0562 0.1322
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0179 0.0372
Toxoplasma gondii exonuclease III APE 0.0022 0.0144 0.0592
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0347 0.2276
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0562 0.3762
Plasmodium falciparum DNA repair protein REV1, putative 0.0021 0.0132 0.0254
Trypanosoma brucei DNA polymerase kappa, putative 0.0068 0.0718 0.4838
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0021 0.0132 0.0534
Echinococcus granulosus peptidase Clp S14 family 0.012 0.1373 0.1348
Leishmania major trypanothione reductase 0.0056 0.0562 0.3762
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0107 0.0077
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0108 0.0631
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0107 0.0077
Echinococcus granulosus importin subunit beta 1 0.0034 0.0291 0.0263
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0039 0.0358 0.0817
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0562 0.1281
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0454 0.3017
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0144 0.0583
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0108 0.0426
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.012 0.1373 0.3202
Echinococcus multilocularis peptidase Clp (S14 family) 0.012 0.1373 0.1348
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.1628 0.3848
Echinococcus granulosus geminin 0.0199 0.2356 0.2333
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0108 0.0631
Mycobacterium ulcerans hypothetical protein 0.0021 0.0132 0.0059
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.007
Schistosoma mansoni hypothetical protein 0.0199 0.2356 0.2333
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0144 0.0427
Schistosoma mansoni microtubule-associated protein tau 0.081 1 1
Echinococcus multilocularis expressed protein 0.0039 0.0358 0.033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0108 0.0631
Brugia malayi Smad1 0.0019 0.0107 0.0316
Loa Loa (eye worm) glutathione reductase 0.0056 0.0562 0.1281
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.1628 0.2852
Schistosoma mansoni hypothetical protein 0.0199 0.2356 0.2333
Echinococcus granulosus GPCR family 2 0.0019 0.0099 0.007
Brugia malayi Pre-SET motif family protein 0.0244 0.2924 0.8666
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.03
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0335 0.4058 1
Trichomonas vaginalis ran, putative 0.0025 0.0179 0.0452
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0454 0.3017
Mycobacterium ulcerans DNA polymerase IV 0.0068 0.0718 0.1543
Echinococcus granulosus smad 0.0019 0.0107 0.0077
Brugia malayi SWIB/MDM2 domain containing protein 0.0013 0.003 0.0088
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0211 0.0548
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0184 0.2164 0.5206
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0038 0.0347 0.2276
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0347 0.2276
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0144 0.009
Echinococcus multilocularis dna polymerase eta 0.0128 0.1466 0.1441
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0291 0.1893
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0179 0.0409
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0144 0.0345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.06 0.1778
Trichomonas vaginalis rotamase, putative 0.0039 0.0358 0.0991
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0144 0.0345
Loa Loa (eye worm) Smad1 0.0019 0.0107 0.0243
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0698
Brugia malayi MH1 domain containing protein 0.0019 0.0107 0.0316
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0108 0.0196
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0108 0.0631
Echinococcus granulosus Smad4 0.0019 0.0107 0.0077
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0144 0.0877
Trypanosoma brucei trypanothione reductase 0.0056 0.0562 0.3762
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0127 0.1452 0.2332
Echinococcus multilocularis dna polymerase kappa 0.0068 0.0718 0.069
Leishmania major importin beta-1 subunit, putative 0.0027 0.0211 0.134
Plasmodium falciparum glutathione reductase 0.0019 0.0108 0.0196
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0068 0.0718 0.1636
Trypanosoma brucei unspecified product 0.0068 0.0718 0.4838
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0306 0.0277
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0127 0.1452 0.3401

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.65 uM Competitive inhibition of MDM2/P53 interaction after 1 hr by fluorescence polarization assay ChEMBL. 22273545
IC50 (functional) = 3.13 uM Antiproliferative activity against human SW620 cells after 72 hrs by MTT assay ChEMBL. 22273545
IC50 (functional) = 4.03 uM Antiproliferative activity against human A549 cells after 72 hrs by MTT assay ChEMBL. 22273545
IC50 (functional) = 4.62 uM Antiproliferative activity against human HL60 cells after 72 hrs by MTT assay ChEMBL. 22273545
IC50 (functional) = 6.39 uM Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay ChEMBL. 22273545
IC50 (functional) = 7.26 uM Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 22273545

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22273545

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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