Detailed information for compound 1650264

Basic information

Technical information
  • TDR Targets ID: 1650264
  • Name: 6-[2-(4-methylphenyl)-2-oxoethyl]-3-[7-[6-[2- (4-methylphenyl)-2-oxoethyl]-5-oxoimidazo[1,2 -d][1,2,4]triazol-3-yl]heptyl]imidazo[3,2-d][ 1,2,4]triazol-5-one
  • MW: 604.658 | Formula: C33H32N8O4
  • H donors: 0 H acceptors: 8 LogP: 4.93 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(cc1)C)CC1=Nc2n(C1=O)c(nn2)CCCCCCCc1nnc2n1C(=O)C(=N2)CC(=O)c1ccc(cc1)C
  • InChi: 1S/C33H32N8O4/c1-20-10-14-22(15-11-20)26(42)18-24-30(44)40-28(36-38-32(40)34-24)8-6-4-3-5-7-9-29-37-39-33-35-25(31(45)41(29)33)19-27(43)23-16-12-21(2)13-17-23/h10-17H,3-9,18-19H2,1-2H3
  • InChiKey: NDPWTKVYCANXMB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[2-(4-methylphenyl)-2-oxo-ethyl]-3-[7-[6-[2-(4-methylphenyl)-2-oxo-ethyl]-5-oxo-imidazo[1,2-d][1,2,4]triazol-3-yl]heptyl]imidazo[3,2-d][1,2,4]triazol-5-one
  • 6-[2-(4-methylphenyl)-2-oxoethyl]-3-[7-[6-[2-(4-methylphenyl)-2-oxoethyl]-5-oxo-3-imidazo[1,2-d][1,2,4]triazolyl]heptyl]-5-imidazo[3,2-d][1,2,4]triazolone
  • 3-[7-[5-keto-6-[2-keto-2-(4-methylphenyl)ethyl]imidazo[1,2-d][1,2,4]triazol-3-yl]heptyl]-6-[2-keto-2-(4-methylphenyl)ethyl]imidazo[3,2-d][1,2,4]triazol-5-one
  • NSC625853
  • NCI60_008138
  • 5H-Imidazo[2,1-c]-1,2,4-triazol-5-one, 3,3'-(1,7-heptanediyl)bis[6-[2-(4-methylphenyl)-2-oxoethyl]-
  • AIDS-132324
  • AIDS132324

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0109 0.0109
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0103 0.0099
Brugia malayi Importin beta-1 subunit 0.0028 0.0101 0.0101
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0137 0.0079
Trypanosoma brucei polo-like protein kinase 0.0095 0.0488 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0453 0.0449
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0453 0.0397
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0167 0.0163
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0109 0.0105
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Schistosoma mansoni importin beta-1 0.0028 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0011 0.0004 0.0004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0453 0.0449
Plasmodium falciparum importin beta, putative 0.0028 0.0101 0.9597
Schistosoma mansoni ets-related 0.0212 0.1164 0.1164
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0529 0.2986 1
Brugia malayi Bromodomain containing protein 0.0028 0.0103 0.0103
Schistosoma mansoni hypothetical protein 0.0028 0.0103 0.0103
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Onchocerca volvulus 0.0232 0.1275 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0059 0.0059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0453 0.0453
Plasmodium vivax importin-beta 2, putative 0.0028 0.0101 0.8473
Brugia malayi jmjC domain containing protein 0.0034 0.0137 0.0137
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0453 0.0453
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0103 0.0103
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0137 0.0134
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0167 0.0163
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0071 0.0099
Brugia malayi hypothetical protein 0.0016 0.0031 0.0031
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0488 0.3283
Loa Loa (eye worm) hypothetical protein 0.0028 0.0101 0.0043
Brugia malayi RNA, U transporter 1 0.0079 0.0397 0.0397
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0137 0.0137
Brugia malayi PHD-finger family protein 0.0028 0.0103 0.0103
Brugia malayi Ets-domain containing protein 0.007 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0029 0.0109 0.005
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0103 0.8828
Schistosoma mansoni hypothetical protein 0.0297 0.1654 0.1654
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0109 0.0109
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0488 1
Echinococcus multilocularis snurportin 1 0.0297 0.1654 0.1651
Echinococcus multilocularis peregrin 0.0028 0.0103 0.0099
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0101 0.0098
Entamoeba histolytica hypothetical protein 0.0023 0.0071 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0103 0.8828
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0488 0.0488
Plasmodium falciparum phd finger protein, putative 0.0028 0.0103 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0071 0.0099
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.1654 0.1607
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 0.0988
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0109 0.0109
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0109 0.0105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0453 0.0453
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Plasmodium vivax SET domain protein, putative 0.0029 0.0109 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0101 0.0098
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0488 0.1465
Loa Loa (eye worm) hypothetical protein 0.0024 0.0081 0.0022
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0103 0.0099
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0071 0.0041
Echinococcus granulosus snurportin 1 0.0297 0.1654 0.1651
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0081 0.0076
Echinococcus granulosus peregrin 0.0028 0.0103 0.0099
Loa Loa (eye worm) fli-1 protein 0.0212 0.1164 0.1114
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0059 0.0055
Loa Loa (eye worm) hypothetical protein 0.0526 0.2969 0.2932
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Schistosoma mansoni ran 0.0021 0.0059 0.0059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0109 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0453 0.0449
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1113 0.1062
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 0.0988
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0081 0.4435
Leishmania major hypothetical protein, conserved 0.0024 0.0081 0.0517
Loa Loa (eye worm) hypothetical protein 0.0028 0.0103 0.0044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0453 0.0449
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0488 0.0484
Trichomonas vaginalis set domain proteins, putative 0.0232 0.1275 1
Schistosoma mansoni ran 0.0021 0.0059 0.0059
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0081 0.0076
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0529 0.2986 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0103 0.0044
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0081 0.0517
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1746 1 1
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0529 0.2986 0.2949
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1746 1 1
Schistosoma mansoni gabp alpha 0.007 0.0344 0.0344
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0109 0.0105
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0605 0.055
Giardia lamblia Kinase, PLK 0.0095 0.0488 1
Schistosoma mansoni protein kinase 0.1746 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0472 0.0469
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0344 0.034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0109 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0344 0.034
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0103 0.0099
Loa Loa (eye worm) hypothetical protein 0.1743 0.9983 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0488 0.1465
Brugia malayi jmjC domain containing protein 0.0092 0.0472 0.0472
Onchocerca volvulus 0.0029 0.0109 0.005
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0101 0.8473
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0137 0.0134
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0488 0.0432
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0488 0.0488
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0103 0.8828
Brugia malayi Pre-SET motif family protein 0.0029 0.0109 0.0109
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0081 0.5023
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0488 0.3527
Giardia lamblia PHD finger protein 15 0.0028 0.0103 0.1029
Brugia malayi hypothetical protein 0.0024 0.0081 0.0081
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0071 0.0099
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0219 0.1317
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0137 0.0137
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0081 0.5023
Loa Loa (eye worm) hypothetical protein 0.006 0.0285 0.0228
Brugia malayi Ets-domain containing protein 0.007 0.0344 0.0344
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0363 0.0363
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0081 0.4435
Schistosoma mansoni kinase 0.005 0.0226 0.0226
Leishmania major importin beta-1 subunit, putative 0.0023 0.0071 0.028
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0059 0.0055
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.4507 0.4505
Loa Loa (eye worm) hypothetical protein 0.0048 0.0219 0.0161
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0488 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0488 0.0484
Brugia malayi Pre-SET motif family protein 0.0203 0.1113 0.1113
Brugia malayi MH2 domain containing protein 0.0115 0.0605 0.0605
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0344 0.0287
Schistosoma mansoni protein kinase 0.1746 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0605 0.055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0453 0.0453
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0219 0.1317
Brugia malayi Fli-1 protein 0.0212 0.1164 0.1164
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0472 0.0469
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0276 0.0219

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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