Detailed information for compound 1609731

Basic information

Technical information
  • TDR Targets ID: 1609731
  • Name: N-anthracen-1-yl-4-[2-(2-hydroxyethylamino)et hylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carb oxamide
  • MW: 431.487 | Formula: C24H25N5O3
  • H donors: 5 H acceptors: 3 LogP: 2.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNCCNc1[nH]c(=O)nc(c1C(=O)Nc1cccc2c1cc1ccccc1c2)C
  • InChi: 1S/C24H25N5O3/c1-15-21(22(29-24(32)27-15)26-10-9-25-11-12-30)23(31)28-20-8-4-7-18-13-16-5-2-3-6-17(16)14-19(18)20/h2-8,13-14,25,30H,9-12H2,1H3,(H,28,31)(H2,26,27,29,32)
  • InChiKey: NFDFVCRJQZFRGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-anthryl)-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide
  • N-(1-anthryl)-4-[2-(2-hydroxyethylamino)ethylamino]-2-keto-6-methyl-1H-pyrimidine-5-carboxamide
  • AIDS-147897
  • AIDS147897
  • N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide
  • NSC678359
  • NCI60_028032

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 carbamoyl-phosphate synthetase 0.0381 0.0676 0.0596
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.01 0.1027
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1685 0.3684 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3202 0.7181 1
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0755 0.1537 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1685 0.3684 0.5999
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0155 0.0155 0.016
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.06 0.118 0.1145
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0155 0.0155 0.0189
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.4425 1 1
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0155 0.0155 0.0161
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0155 0.0155 0.0115
Mycobacterium ulcerans hypothetical protein 0.0155 0.0155 0.0242
Echinococcus granulosus Biotin lipoyl attachment 0.0155 0.0155 0.0071
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.4425 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.06 0.118 0.1104
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0155 0.0155 0.0161
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1685 0.3684 0.363
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Leishmania major acetyl-CoA carboxylase, putative 0.4425 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.06 0.118 0.2905
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0155 0.0155 0.0115
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0155 0.0155 0.016
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0155 0.0155 0.0242
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1685 0.3684 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.06 0.118 0.1145
Mycobacterium ulcerans pyruvate carboxylase 0.1685 0.3684 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1685 0.3684 1
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0155 0.0155 0.0242
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.2493 0.5546 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.06 0.118 0.2905
Plasmodium falciparum carbamoyl phosphate synthetase 0.0381 0.0676 0.0742
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.06 0.118 0.2031
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0155 0.0155 0.0189
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1685 0.3684 0.3658
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0155 0.0155 0.016
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0155 0.0155 0.0071
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0381 0.0676 0.1047
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0381 0.0676 0.1047
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1685 0.3684 0.363
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3202 0.7181 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.06 0.118 0.1104
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0284 0.0453 0.1066
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1685 0.3684 0.363
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0222 0.031 0.0444
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0155 0.0155 0.0161
Chlamydia trachomatis replicative DNA helicase 0.0284 0.0453 0.094
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0155 0.0155 0.0189
Trypanosoma brucei unspecified product 0.1108 0.2352 0.2322
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.06 0.118 0.3077
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0284 0.0453 0.0845
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1685 0.3684 0.363
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0155 0.0155 0.0115
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0155 0.0155 0.0071
Trypanosoma brucei acetyl-CoA carboxylase 0.4425 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.06 0.118 0.1877
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0155 0.0155 0.0189
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0155 0.0155 0.0071
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.2288 0.5074 0.9138
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.06 0.118 0.3077
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0155 0.0155 0.0071
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0155 0.0155 0.0115
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0155 0.0155 0.0189
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.06 0.118 0.1104
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0155 0.0155 0.0115
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.06 0.118 0.1877
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0155 0.0155 0.0071
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.06 0.118 0.2905
Schistosoma mansoni acetyl-CoA carboxylase 0.4425 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.019 0.0236 0.0244
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.06 0.118 0.3077
Trichomonas vaginalis glucosylceramidase, putative 0.0131 0.01 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0236 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.427 0.9643 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.06 0.118 0.1145
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1685 0.3684 0.66
Loa Loa (eye worm) hypothetical protein 0.0155 0.0155 0.0161
Leishmania major carbamoyl-phosphate synthase, putative 0.0381 0.0676 0.0638
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1685 0.3684 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0381 0.0676 0.0596
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0155 0.0155 0.0115
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1685 0.3684 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0222 0.031 0.0444
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.06 0.118 0.3077
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0284 0.0453 0.0845
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1685 0.3684 0.3658
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0155 0.0155 0.0115
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1685 0.3684 0.3658
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0155 0.0155 0.0071
Chlamydia trachomatis biotin carboxylase 0.153 0.3326 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.06 0.118 0.3077
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0381 0.0676 0.0742
Onchocerca volvulus Glucosylceramidase homolog 0.0125 0.0085 0.5
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0155 0.0155 0.0071
Mycobacterium leprae Conserved hypothetical protein 0.0838 0.173 0.4464
Trypanosoma cruzi acetyl-CoA carboxylase 0.2739 0.6114 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0381 0.0676 0.1476
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.06 0.118 0.2905
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.06 0.118 0.2031
Brugia malayi Carboxyl transferase domain containing protein 0.427 0.9643 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.4425 1 1
Treponema pallidum replicative DNA helicase (dnaB) 0.0284 0.0453 1
Schistosoma mansoni Replicative DNA helicase 0.0284 0.0453 0.0371
Toxoplasma gondii carbamoylphosphate synthetase 0.0381 0.0676 0.0529
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1685 0.3684 0.66
Toxoplasma gondii pyruvate carboxylase 0.1685 0.3684 0.3584
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0155 0.0155 0.0189
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0755 0.1537 0.5
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0381 0.0676 0.0638
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0155 0.0155 0.0189
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.06 0.118 0.3233
Schistosoma mansoni pyruvate carboxylase 0.1685 0.3684 0.363
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.019 0.0236 0.0244
Leishmania major carboxylase, putative 0.1685 0.3684 0.3658
Loa Loa (eye worm) hypothetical protein 0.0155 0.0155 0.0161
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0155 0.0155 0.0115
Schistosoma mansoni aspartate carbamoyltransferase 0.0381 0.0676 0.0596
Leishmania major mitochondrial DNA polymerase beta 0.0222 0.031 0.0271
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.06 0.118 0.1041
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.06 0.118 0.3077
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0222 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.0155 0.0155 0.0161
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.06 0.118 0.1877
Echinococcus multilocularis Biotin lipoyl attachment 0.0155 0.0155 0.0071
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0381 0.0676 0.1683
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0155 0.0155 0.0071
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1685 0.3684 0.5999

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 MDA-N Breast 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 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 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 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 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 HOP-92 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 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 DU-145 Prostate 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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