Detailed information for compound 603625

Basic information

Technical information
  • TDR Targets ID: 603625
  • Name: 5-methyl-6-pentan-2-ylpyrido[3,2-e]pyrimidine -2,4-diamine
  • MW: 245.323 | Formula: C13H19N5
  • H donors: 2 H acceptors: 3 LogP: 2.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(c1cnc2c(c1C)c(N)nc(n2)N)C
  • InChi: 1S/C13H19N5/c1-4-5-7(2)9-6-16-12-10(8(9)3)11(14)17-13(15)18-12/h6-7H,4-5H2,1-3H3,(H4,14,15,16,17,18)
  • InChiKey: UQMAYNJFHMJQRZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-6-(1-methylbutyl)pyrido[3,2-e]pyrimidine-2,4-diamine
  • [2-amino-5-methyl-6-(1-methylbutyl)pyrido[3,2-e]pyrimidin-4-yl]amine
  • 5-methyl-6-pentan-2-yl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • 72228-13-8
  • Pyrido(2,3-d)pyrimidine-2,4-diamine, 5-methyl-6-sec-pentyl-

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 thyroid hormone receptor 0.0137 0.5905 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.1762 0.3108
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.106 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.6861 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.106 0.873
Schistosoma mansoni lamin 0.0027 0.0691 0.1128
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0691 0.1007
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.5422 0.9653
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.4037 0.7177
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0008
Schistosoma mansoni lamin 0.0027 0.0691 0.1128
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.106 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.1762 0.2567
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1233 0.2051
Entamoeba histolytica hypothetical protein 0.0038 0.1233 0.5
Trichomonas vaginalis esterase, putative 0.0035 0.106 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.5616 0.9508
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.1762 0.3108
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.1234 0.2165
Onchocerca volvulus 0.0035 0.106 1
Echinococcus multilocularis lamin 0.0027 0.0691 0.1135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.4037 0.5867
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.106 0.873
Brugia malayi RNA binding protein 0.0131 0.5616 0.8178
Schistosoma mansoni tar DNA-binding protein 0.0131 0.5616 0.9508
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.5111 0.7449
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.6861 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.5422 0.9178
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.106 0.1035
Mycobacterium tuberculosis Conserved protein 0.0035 0.106 0.1035
Loa Loa (eye worm) hypothetical protein 0.005 0.1762 0.2567
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.3528 0.351
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.3988 0.3971
Onchocerca volvulus 0.0035 0.106 1
Schistosoma mansoni hypothetical protein 0.005 0.1762 0.2949
Loa Loa (eye worm) TAR-binding protein 0.0131 0.5616 0.8185
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.3528 0.351
Toxoplasma gondii ABC1 family protein 0.0035 0.106 0.873
Brugia malayi beta-lactamase family protein 0.0035 0.106 0.151
Mycobacterium tuberculosis Conserved protein 0.0035 0.106 0.1035
Plasmodium falciparum thioredoxin reductase 0.0038 0.121 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.5616 0.9508
Echinococcus multilocularis musashi 0.0027 0.0691 0.1135
Onchocerca volvulus 0.0035 0.106 1
Echinococcus multilocularis lamin dm0 0.0027 0.0691 0.1135
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.5111 0.7449
Schistosoma mansoni hypothetical protein 0.0038 0.1233 0.2051
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.106 0.873
Leishmania major trypanothione reductase 0.0038 0.121 1
Plasmodium falciparum glutathione reductase 0.0038 0.121 1
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.121 1
Treponema pallidum NADH oxidase 0.0013 0.0028 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.5616 0.8178
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.5616 0.8185
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.106 0.1035
Toxoplasma gondii thioredoxin reductase 0.0038 0.121 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.106 0.1545
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0028 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.4037 0.7177
Schistosoma mansoni tar DNA-binding protein 0.0131 0.5616 0.9508
Brugia malayi TAR-binding protein 0.0131 0.5616 0.8178
Brugia malayi Latrophilin receptor protein 2 0.005 0.1762 0.2537
Mycobacterium ulcerans hypothetical protein 0.0035 0.106 1
Echinococcus multilocularis GPCR, family 2 0.005 0.1762 0.2955
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.3528 0.351
Brugia malayi intermediate filament protein 0.0027 0.0691 0.097
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.1234 0.2059
Mycobacterium ulcerans lipase LipD 0.0035 0.106 1
Brugia malayi hypothetical protein 0.0038 0.1233 0.1764
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0092 0.0094
Loa Loa (eye worm) hypothetical protein 0.0027 0.0667 0.0973
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.4037 0.6824
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.1762 0.2955
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.5905 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.106 0.1756
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.106 0.1035
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.3528 0.351
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.106 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.5616 0.9508
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.3528 0.8427
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.106 0.1762
Schistosoma mansoni hypothetical protein 0.005 0.1762 0.2949
Brugia malayi MH2 domain containing protein 0.012 0.5111 0.7438
Entamoeba histolytica hypothetical protein 0.0038 0.1233 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.6861 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.4037 0.6822
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.1762 0.2537
Leishmania major hypothetical protein, conserved 0.0035 0.106 0.873
Brugia malayi beta-lactamase family protein 0.0035 0.106 0.151
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.121 0.1764
Mycobacterium ulcerans beta-lactamase 0.0035 0.106 1
Trypanosoma brucei trypanothione reductase 0.0038 0.121 1
Echinococcus granulosus GPCR family 2 0.005 0.1762 0.3108
Echinococcus multilocularis tar DNA binding protein 0.0131 0.5616 0.9508
Entamoeba histolytica hypothetical protein 0.0038 0.1233 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1233 0.2057
Schistosoma mansoni hypothetical protein 0.005 0.1762 0.2949
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.106 0.151
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.106 1
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.121 1
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.4501 0.6546
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.106 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.3988 0.3971
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.121 0.1186
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.106 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0024 0.0034
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.106 0.1854
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.4037 0.5884
Echinococcus granulosus tar DNA binding protein 0.0131 0.5616 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0008
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.106 0.1035
Schistosoma mansoni intermediate filament proteins 0.0027 0.0691 0.1128
Loa Loa (eye worm) glutathione reductase 0.0038 0.121 0.1764
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0092 0.0134
Mycobacterium tuberculosis Probable reductase 0.0087 0.3528 0.351
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.1762 0.2955
Echinococcus granulosus intermediate filament protein 0.0027 0.0691 0.1193
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.106 0.1035
Echinococcus granulosus lamin dm0 0.0027 0.0691 0.1193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.4037 0.6822
Schistosoma mansoni hypothetical protein 0.0126 0.5422 0.9178
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.106 0.1545
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0691 0.097
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.3988 0.3971
Schistosoma mansoni hypothetical protein 0.005 0.1762 0.2949
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0028 0.5
Echinococcus granulosus lamin 0.0027 0.0691 0.1193
Plasmodium vivax glutathione reductase, putative 0.0038 0.121 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.106 0.1035
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0691 0.1007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.4037 0.6822
Brugia malayi Thioredoxin reductase 0.0038 0.121 0.173
Brugia malayi glutathione reductase 0.0038 0.121 0.173
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Schistosoma mansoni hypothetical protein 0.0107 0.4501 0.761
Schistosoma mansoni thyroid hormone receptor 0.0137 0.5905 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.6861 1
Loa Loa (eye worm) RNA binding protein 0.0131 0.5616 0.8185
Loa Loa (eye worm) hypothetical protein 0.0107 0.4501 0.656
Entamoeba histolytica hypothetical protein 0.0038 0.1233 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.3988 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1233 0.2163
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.4037 0.6824
Loa Loa (eye worm) hypothetical protein 0.0027 0.0691 0.1007
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Plasmodium vivax hypothetical protein, conserved 0.0035 0.106 0.873
Mycobacterium tuberculosis Conserved protein 0.0035 0.106 0.1035
Brugia malayi beta-lactamase 0.0035 0.106 0.151
Loa Loa (eye worm) hypothetical protein 0.0035 0.106 0.1545
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.106 0.1035
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.3528 0.351
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0028 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.106 0.1756
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.106 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 1 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3.61 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.24 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.91 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 67 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 2.14 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 1 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 67 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 7.55 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.02841 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.