Detailed information for compound 259729

Basic information

Technical information
  • TDR Targets ID: 259729
  • Name: 6-[(fluoranthen-3-ylamino)methyl]-5-methylpyr ido[2,3-d]pyrimidine-2,4-diamine
  • MW: 404.467 | Formula: C25H20N6
  • H donors: 3 H acceptors: 3 LogP: 4.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)ncc(c2C)CNc1ccc2c3c1cccc3c1c2cccc1
  • InChi: 1S/C25H20N6/c1-13-14(12-29-24-21(13)23(26)30-25(27)31-24)11-28-20-10-9-18-16-6-3-2-5-15(16)17-7-4-8-19(20)22(17)18/h2-10,12,28H,11H2,1H3,(H4,26,27,29,30,31)
  • InChiKey: UYPDILOOFRURAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(fluoranthen-3-ylamino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
  • 6-[(3-fluoranthenylamino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-fluoranthen-3-yl-amine
  • 6-[(fluoranthen-3-ylamino)methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[(fluoranthen-3-ylamino)methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[(3-fluoranthenylamino)methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-fluoranthen-3-yl-amine
  • 2,4-diamino-5-methylpyrido[2,3-d]pyrimidine, 6[[(fluoranthen-3-yl)amino]methyl]-, hydrate(0.8)
  • AIDS-077544
  • AIDS077544

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium avium Dihydrofolate reductase Starlite/ChEMBL References
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   181 aa 199 aa 27.1 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   181 aa 199 aa 27.1 %
Onchocerca volvulus Putative dihydrofolate reductase Dihydrofolate reductase   181 aa 174 aa 31.6 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0549 0.0932
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0528 0.03
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.3137 0.7096
Schistosoma mansoni hypothetical protein 0.0037 0.0528 0.0613
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0207 0.0207
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3137 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Entamoeba histolytica hypothetical protein 0.0037 0.0528 0.9511
Brugia malayi Inositol-1 0.0038 0.0549 0.0559
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0528 0.03
Brugia malayi Importin beta-1 subunit 0.0029 0.0373 0.0379
Brugia malayi TAR-binding protein 0.0064 0.1123 0.1143
Loa Loa (eye worm) hypothetical protein 0.0068 0.1195 0.1217
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0264 0.0269
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0528 0.0888
Leishmania major GTP-binding protein, putative 0.0022 0.0207 0.0198
Mycobacterium leprae Probable lipase LipE 0.0037 0.0528 0.0078
Brugia malayi Pre-SET motif family protein 0.0029 0.0369 0.0375
Entamoeba histolytica hypothetical protein 0.0037 0.0528 0.9511
Schistosoma mansoni ran 0.0022 0.0207 0.024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.07 0.0713
Onchocerca volvulus 0.0037 0.0528 0.1127
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0528 0.0613
Schistosoma mansoni hypothetical protein 0.0031 0.0417 0.0484
Mycobacterium tuberculosis Conserved protein 0.0037 0.0528 0.03
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0369 0.0428
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0549 0.0549
Brugia malayi RNA binding protein 0.0064 0.1123 0.1143
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4088 0.4163
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0417 0.0417
Brugia malayi beta-lactamase family protein 0.0037 0.0528 0.0538
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0465 0.0223
Loa Loa (eye worm) dihydrofolate reductase 0.0415 0.8614 0.8773
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0549 0.1002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.1801 0.1834
Entamoeba histolytica hypothetical protein 0.0024 0.0254 0.3077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0369 0.0428
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0346 0.0346
Onchocerca volvulus 0.0037 0.0528 0.1127
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1123 0.1143
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1865 0.19
Schistosoma mansoni ran 0.0022 0.0207 0.024
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0549 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.07 0.0813
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Loa Loa (eye worm) RNA binding protein 0.0064 0.1123 0.1143
Brugia malayi MH2 domain containing protein 0.0121 0.2341 0.2384
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0123 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0528 0.0528
Schistosoma mansoni inositol monophosphatase 0.0038 0.0549 0.0637
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0123 0.0125
Brugia malayi hypothetical protein 0.0472 0.9819 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1865 0.19
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0415 0.8614 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0207 0.0211
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0528 0.0888
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0549 0.1002
Mycobacterium ulcerans hypothetical protein 0.0037 0.0528 0.03
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.4746 0.5359
Echinococcus multilocularis GPCR, family 2 0.0031 0.0417 0.0417
Toxoplasma gondii ABC1 family protein 0.0037 0.0528 0.1345
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0264 0.0468
Brugia malayi dihydrofolate reductase family protein 0.0415 0.8614 0.8773
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0254 0.0308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.07 0.07
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1123 0.1303
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3137 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0415 0.8614 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.07 0.07
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0373 0.0587
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0417 0.0424
Onchocerca volvulus 0.0231 0.4688 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0123 0.0125
Trypanosoma brucei hypothetical protein, conserved 0.0216 0.437 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0207 0.0198
Brugia malayi RNA, U transporter 1 0.0083 0.1528 0.1556
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0123 0.0125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0417 0.0417
Leishmania major importin beta-1 subunit, putative 0.0024 0.0254 0.0308
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0528 0.0888
Loa Loa (eye worm) hypothetical protein 0.0099 0.1865 0.19
Trichomonas vaginalis ran, putative 0.0022 0.0207 0.0184
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0254 0.0287
Onchocerca volvulus 0.0029 0.0369 0.0786
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0528 0.0528
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1123 0.1143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1865 0.19
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0528 0.1097
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0415 0.8614 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0369 0.0428
Entamoeba histolytica hypothetical protein 0.0037 0.0528 0.9511
Chlamydia trachomatis dihydrofolate reductase 0.0415 0.8614 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0417 0.0484
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0264 0.0307
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0123 0.0143
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0549 0.1412
Schistosoma mansoni inositol monophosphatase 0.0038 0.0549 0.0637
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1195 0.1217
Echinococcus granulosus survival motor neuron protein 1 0.0472 0.9819 0.9819
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0313 0.6437 0.6555
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0264 0.0264
Echinococcus multilocularis neuropeptide s receptor 0.048 1 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.1123 0.1123
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0207 0.0279
Schistosoma mansoni hypothetical protein 0.0031 0.0417 0.0484
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0528 0.03
Loa Loa (eye worm) inositol-1 0.0038 0.0549 0.0559
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0264 0.0264
Onchocerca volvulus 0.0096 0.1801 0.3841
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0528 0.0954
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0528 0.0954
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0373 0.0587
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0096 0.1801 0.209
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0528 0.03
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0528 0.0613
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0528 0.0078
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0254 0.0287
Echinococcus multilocularis neuropeptide receptor A26 0.048 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0528 0.9511
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.3137 0.7096
Echinococcus multilocularis snurportin 1 0.0313 0.6437 0.6437
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0123 0.0123
Plasmodium vivax SET domain protein, putative 0.0029 0.0369 0.0551
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.3137 0.7096
Brugia malayi hypothetical protein 0.0037 0.0528 0.0538
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0417 0.0424
Echinococcus granulosus geminin 0.0165 0.3281 0.3281
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0528 0.03
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0191 0.0161
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Echinococcus granulosus snurportin 1 0.0313 0.6437 0.6437
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0278 0.0365
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0207 0.0198
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0123 0.0143
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0123 0.0125
Loa Loa (eye worm) hypothetical protein 0.0037 0.0528 0.0538
Mycobacterium ulcerans beta-lactamase 0.0037 0.0528 0.03
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0528 0.03
Plasmodium falciparum importin beta, putative 0.0029 0.0373 0.0565
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0278 0.0278
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0528 0.0528
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0528 0.03
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0528 0.03
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.07 0.0713
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1123 0.1303
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1123 0.1303
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0264 0.0332
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0549 0.0324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.07 0.0813
Entamoeba histolytica Ran family GTPase 0.0022 0.0207 0.1974
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.437 1
Echinococcus granulosus importin subunit beta 1 0.0029 0.0373 0.0373
Plasmodium vivax importin-beta 2, putative 0.0029 0.0373 0.0565
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0124 0.0002
Trichomonas vaginalis esterase, putative 0.0037 0.0528 0.0888
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0528 0.03
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0373 0.0373
Schistosoma mansoni hypothetical protein 0.0165 0.3281 0.3809
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2341 0.2384
Loa Loa (eye worm) hypothetical protein 0.0029 0.0373 0.0379
Loa Loa (eye worm) hypothetical protein 0.0029 0.0369 0.0375
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0373 0.0828
Echinococcus multilocularis dihydrofolate reductase 0.0415 0.8614 0.8614
Schistosoma mansoni hypothetical protein 0.0031 0.0417 0.0484
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0369 0.0815
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1123 0.1303
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0528 0.0888
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0549 0.1002
Brugia malayi beta-lactamase 0.0037 0.0528 0.0538
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0369 0.0369
Echinococcus granulosus neuropeptide receptor A26 0.048 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.07 0.0813
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0369 0.0428
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1123 0.1123
Loa Loa (eye worm) hypothetical protein 0.0031 0.0417 0.0424
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0369 0.0369
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0254 0.0287
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0123 0.0123
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0207 0.0211
Mycobacterium tuberculosis Conserved protein 0.0037 0.0528 0.03
Echinococcus granulosus dihydrofolate reductase 0.0415 0.8614 0.8614
Schistosoma mansoni hypothetical protein 0.0165 0.3281 0.3809
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2341 0.2384
Echinococcus granulosus GPCR family 2 0.0031 0.0417 0.0417
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0528 0.0538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0264 0.0309
Echinococcus multilocularis survival motor neuron protein 1 0.0472 0.9819 0.9819
Schistosoma mansoni hypothetical protein 0.0313 0.6437 0.7472
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.3137 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0207 0.0198
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0549 0.0932
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0549 0.0932
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0549 0.1002
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1123 0.1303
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1123 0.1143
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0528 0.0954
Mycobacterium tuberculosis Conserved protein 0.0037 0.0528 0.03
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0528 0.0528
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0528 0.0538
Brugia malayi beta-lactamase family protein 0.0037 0.0528 0.0538
Brugia malayi Pre-SET motif family protein 0.0203 0.4088 0.4163
Loa Loa (eye worm) beta-lactamase 0.0037 0.0528 0.0538
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0549 0.0549
Onchocerca volvulus 0.0037 0.0528 0.1127
Schistosoma mansoni importin beta-1 0.0029 0.0373 0.0433
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0025 0.0278 0.034
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0278 0.0365
Mycobacterium ulcerans lipase LipD 0.0037 0.0528 0.03
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0417 0.0424
Echinococcus multilocularis geminin 0.0165 0.3281 0.3281
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.437 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0264 0.0332
Loa Loa (eye worm) hypothetical protein 0.0021 0.0191 0.0195
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0417 0.0417
Trichomonas vaginalis set domain proteins, putative 0.0231 0.4688 1
Brugia malayi Dihydrofolate reductase 0.0415 0.8614 0.8773
Leishmania major hypothetical protein, conserved 0.0216 0.437 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.07 0.07
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0278 0.0278
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0417 0.0417
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0528 0.0888
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0124 0.0002
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0369 0.0369
Schistosoma mansoni dihydrofolate reductase 0.0415 0.8614 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0528 0.0613
Entamoeba histolytica hypothetical protein 0.0024 0.0264 0.3312
Schistosoma mansoni hypothetical protein 0.0068 0.1195 0.1387
Schistosoma mansoni survival motor neuron protein 0.0096 0.1801 0.209
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0207 0.0207
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0278 0.0365
Leishmania major hypothetical protein, conserved 0.0037 0.0528 0.0954
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.9819 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.07 0.07
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0549 1

Activities

Activity type Activity value Assay description Source Reference
Activity scale (binding) < 10 nM Antimycobacterial activity scale was evaluated and found to be highly active against MAC Dihydrofolate reductase ChEMBL. 11754578
Activity scale (binding) < 10 nM Antimycobacterial activity scale was evaluated and found to be highly active against MAC Dihydrofolate reductase ChEMBL. 11754578
Activity scale (binding) < 100 nM Antimycobacterial activity scale found to be highly active against human dihydrofolate reductase. ChEMBL. 11754578
Activity scale (binding) < 100 nM Antimycobacterial activity scale found to be highly active against human dihydrofolate reductase. ChEMBL. 11754578
IC50 (binding) = 1 nM Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR) ChEMBL. 11754578
IC50 (binding) = 1 nM Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR) ChEMBL. 11754578
IC50 (binding) = 6.2 nM Antimycobacterial activity against human dihydrofolate reductase (hDHFR) ChEMBL. 11754578
IC50 (binding) = 6.2 nM Antimycobacterial activity against human dihydrofolate reductase (hDHFR) ChEMBL. 11754578

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.