Detailed information for compound 1441063

Basic information

Technical information
  • TDR Targets ID: 1441063
  • Name: 2-[(1S)-1-phenyl-3-pyrrolidin-1-ylpropyl]pyri dine
  • MW: 266.381 | Formula: C18H22N2
  • H donors: 0 H acceptors: 1 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)[C@@H](c1ccccn1)CCN1CCCC1
  • InChi: 1S/C18H22N2/c1-2-8-16(9-3-1)17(18-10-4-5-12-19-18)11-15-20-13-6-7-14-20/h1-5,8-10,12,17H,6-7,11,13-15H2/t17-/m0/s1
  • InChiKey: RVICOCMXZVHRHL-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(1S)-1-phenyl-3-pyrrolidin-1-yl-propyl]pyridine
  • 2-[(1S)-1-phenyl-3-1-pyrrolidinylpropyl]pyridine
  • NCGC00013517
  • NSC-42824
  • NCIStruc2_000444
  • NCI42824
  • NCIStruc1_000631

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.1558 0.1508 0.1508
Mycobacterium ulcerans Type I modular polyketide synthase 0.0082 0.005 0.1741
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0993 0.0951 0.3042
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0016 0.0022
Schistosoma mansoni hypothetical protein 0.0059 0.0027 0.0046
Echinococcus multilocularis protein jagged 2 0.023 0.0196 0.0266
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.022 0.0186 0.0252
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Loa Loa (eye worm) hypothetical protein 0.0054 0.0022 0.0022
Mycobacterium ulcerans oxidoreductase 0.0054 0.0022 0.0045
Brugia malayi celfurPC protein 0.4055 0.3975 0.3975
Plasmodium vivax plasmepsin V, putative 0.0126 0.0093 0.4337
Schistosoma mansoni integrin beta subunit 0.5937 0.5835 1
Plasmodium falciparum plasmepsin V 0.0126 0.0093 0.4337
Mycobacterium tuberculosis Possible oxidoreductase 0.0054 0.0022 0.106
Loa Loa (eye worm) endoprotease bli-4 0.5048 0.4957 0.4957
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0041 0.1614
Loa Loa (eye worm) TK/ALK protein kinase 0.0044 0.0012 0.0012
Mycobacterium ulcerans thioesterase TesA 0.0071 0.0039 0.1069
Toxoplasma gondii histone lysine-specific demethylase 0.0054 0.0022 0.0588
Leishmania major subtilisin-like serine peptidase 0.022 0.0186 1
Trichomonas vaginalis conserved hypothetical protein 0.022 0.0186 0.0459
Echinococcus multilocularis 0.0054 0.0022 0.003
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0088 0.0055 0.2869
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0049 0.0017 0.0757
Mycobacterium ulcerans thioesterase 0.0071 0.0039 0.1069
Schistosoma mansoni integrin alpha-ps 0.1303 0.1256 0.2152
Mycobacterium ulcerans dehydrogenase 0.0054 0.0022 0.0045
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0071 0.0039 0.1069
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3079 0.3011 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0242 0.0208 0.0282
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0041 0.0071
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0097 0.0065 0.2596
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0016 0.0022
Brugia malayi Reprolysin 0.0138 0.0105 0.0105
Echinococcus multilocularis integrin alpha 3 0.2003 0.1948 0.2642
Trichomonas vaginalis conserved hypothetical protein 0.022 0.0186 0.0459
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.022 0.0186 0.9177
Loa Loa (eye worm) hypothetical protein 0.075 0.071 0.071
Brugia malayi ADAMTS-like protease 0.0138 0.0105 0.0105
Echinococcus granulosus fibrillin 1 0.0231 0.0197 0.0267
Brugia malayi Integrin alpha pat-2 precursor 0.2682 0.2618 0.2618
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0082 0.005 0.1741
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0234 0.02 1
Echinococcus granulosus integrin alpha 3 0.2003 0.1948 0.2642
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0081 0.0049 0.2499
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0082 0.005 0.2582
Loa Loa (eye worm) hypothetical protein 0.0696 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.1969 0.1915 0.1915
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0082 0.005 0.1713
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0097 0.0065 0.2596
Echinococcus multilocularis membrane bound transcription factor site 1 0.022 0.0186 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.022 0.0186 0.0459
Giardia lamblia Furin precursor putative serine protease 0.0993 0.0951 0.4667
Brugia malayi SWIRM domain containing protein 0.0289 0.0254 0.0254
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Echinococcus granulosus neuroendocrine convertase 2 0.3182 0.3113 0.4222
Loa Loa (eye worm) hypothetical protein 0.0138 0.0105 0.0105
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0097 0.0065 0.2884
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0088 0.0055 0.206
Mycobacterium leprae Polyketide synthase Pks13 0.0125 0.0092 0.4282
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0059 0.0027 0.0037
Schistosoma mansoni integrin alpha-ps 0.075 0.071 0.1217
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0016 0.0022
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0136 0.0103 0.014
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.022 0.0186 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0082 0.005 0.2558
Loa Loa (eye worm) hypothetical protein 0.0044 0.0012 0.0012
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Brugia malayi angiogenesis inhibito 0.0138 0.0105 0.0105
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Loa Loa (eye worm) hypothetical protein 0.0266 0.0232 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0083 0.0051 0.2607
Loa Loa (eye worm) hypothetical protein 0.022 0.0186 0.0186
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Brugia malayi Protein kinase domain containing protein 0.0044 0.0012 0.0012
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0088 0.0055 0.2869
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0066 0.0034 0.0737
Giardia lamblia High cysteine membrane protein Group 2 0.1866 0.1812 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Schistosoma mansoni glutamate receptor NMDA 0.0266 0.0231 0.0397
Echinococcus granulosus lysine specific histone demethylase 1A 0.0266 0.0232 0.0315
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0041 0.1201
Onchocerca volvulus 0.0076 0.0044 0.1312
Loa Loa (eye worm) hypothetical protein 0.0077 0.0045 0.0045
Schistosoma mansoni dihydroceramide desaturase 0.0098 0.0065 0.0112
Brugia malayi EGF-like domain containing protein 0.023 0.0196 0.0196
Loa Loa (eye worm) metalloprotease 0.0065 0.0033 0.0033
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.022 0.0186 0.0186
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0016 0.0022
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0097 0.0065 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0061 0.0029 0.1449
Loa Loa (eye worm) hypothetical protein 0.023 0.0196 0.0196
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0993 0.0951 0.3042
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0041 0.0056
Echinococcus granulosus glutamate NMDA receptor subunit 0.0266 0.0231 0.0314
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0097 0.0065 0.2596
Trypanosoma cruzi subtilisin peptidase 0.022 0.0186 0.9177
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0082 0.005 0.1741
Mycobacterium ulcerans Type I modular polyketide synthase 0.0082 0.005 0.1741
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.023 0.0196 0.0495
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0993 0.0951 0.3042
Loa Loa (eye worm) integrin alpha pat-2 0.391 0.3832 0.3832
Brugia malayi hypothetical protein 0.0054 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.1379 0.1331 0.1331
Brugia malayi hypothetical protein 0.0308 0.0273 0.0273
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0054 0.0022 0.0045
Echinococcus granulosus adam 0.0538 0.05 0.0679
Echinococcus granulosus integrin alpha ps 0.0624 0.0586 0.0794
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0235 0.0201 0.0273
Echinococcus granulosus integrin alpha ps 0.1375 0.1327 0.18
Loa Loa (eye worm) hypothetical protein 0.023 0.0196 0.0196
Mycobacterium ulcerans polyketide synthase Pks13 0.0125 0.0092 0.4282
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0041 0.0071
Schistosoma mansoni furin-1 (S08 family) 0.2189 0.2132 0.3653
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.022 0.0186 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0266 0.0232 0.0398
Brugia malayi EGF-like domain containing protein 0.023 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0065 0.0033 0.0033
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0088 0.0055 0.2869
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0067 0.0035 0.1742
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.022 0.0186 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.0254 0.0254
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.022 0.0186 0.0318
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0097 0.0065 0.0088
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0054 0.0022 0.0045
Echinococcus granulosus adam 17 protease 0.0098 0.0065 0.0088
Toxoplasma gondii subtilisin SUB1 0.022 0.0186 0.9433
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Schistosoma mansoni hypothetical protein 0.0059 0.0027 0.0046
Mycobacterium leprae Probable polyketide synthase Pks1 0.0088 0.0055 0.206
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0235 0.0201 0.0345
Toxoplasma gondii subtilisin SUB7 0.022 0.0186 0.9433
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Toxoplasma gondii subtilisin SUB2 0.022 0.0186 0.9433
Trypanosoma brucei subtilisin peptidase 0.022 0.0186 0.892
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0041 0.2097
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0041 0.1201
Echinococcus multilocularis nmda type glutamate receptor 0.0112 0.008 0.0108
Loa Loa (eye worm) hypothetical protein 0.0045 0.0013 0.0013
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0112 0.008 0.0108
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0098 0.0065 0.0088
Schistosoma mansoni apoptosis regulator bax 0.0059 0.0027 0.0046
Loa Loa (eye worm) hypothetical protein 0.0138 0.0105 0.0105
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Brugia malayi neuroendocrine convertase 1 precursor 0.3182 0.3113 0.3113
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0041 0.0056
Toxoplasma gondii aspartyl protease ASP5 0.0115 0.0082 0.3825
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Schistosoma mansoni hypothetical protein 0.0044 0.0012 0.0021
Brugia malayi Kelch motif family protein 0.1573 0.1523 0.1523
Loa Loa (eye worm) hypothetical protein 0.5048 0.4957 0.4957
Onchocerca volvulus 0.0289 0.0254 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0054 0.0022 0.003
Loa Loa (eye worm) hypothetical protein 0.0054 0.0022 0.0022
Schistosoma mansoni site-1 peptidase (S08 family) 0.022 0.0186 0.0318
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0088 0.0055 0.206
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0088 0.0055 0.206
Brugia malayi EGF-like domain containing protein 0.023 0.0196 0.0196
Plasmodium falciparum subtilisin-like protease 3 0.022 0.0186 1
Mycobacterium leprae Possible secreted protease 0.022 0.0186 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Mycobacterium ulcerans monoamine oxidase 0.0054 0.0022 0.0045
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0242 0.0208 0.0208
Plasmodium falciparum subtilisin-like protease 1 0.022 0.0186 1
Loa Loa (eye worm) angiogenesis inhibito 0.0065 0.0033 0.0033
Schistosoma mansoni glutamate receptor NMDA 0.0048 0.0016 0.0027
Loa Loa (eye worm) hypothetical protein 0.1924 0.187 0.187
Toxoplasma gondii subtilisin SUB6 0.022 0.0186 0.9433
Schistosoma mansoni site-1 peptidase (S08 family) 0.022 0.0186 0.0318
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.008 0.0048 0.2446
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Loa Loa (eye worm) hypothetical protein 0.0065 0.0033 0.0033
Echinococcus granulosus glutamate receptor 2 0.0048 0.0016 0.0022
Plasmodium vivax subtilisin-like serine protease, putative 0.022 0.0186 1
Schistosoma mansoni hypothetical protein 0.0993 0.0951 0.1629
Brugia malayi Stress-activated protein kinase jnk-1 0.0242 0.0208 0.0208
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.022 0.0186 1
Trichomonas vaginalis hypothetical protein 0.0993 0.0951 0.3042
Loa Loa (eye worm) hypothetical protein 0.0235 0.0201 0.0201
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0088 0.0055 0.206
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Loa Loa (eye worm) hypothetical protein 0.2057 0.2002 0.2002
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0097 0.0065 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0082 0.005 0.2582
Echinococcus multilocularis fibrillin 2 0.023 0.0196 0.0266
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0066 0.0034 0.0737
Onchocerca volvulus Fatty acid synthase homolog 0.0154 0.0121 0.4493
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Loa Loa (eye worm) acyl carrier protein 0.0039 0.0008 0.0008
Echinococcus multilocularis disintegrin and metalloproteinase 0.0098 0.0065 0.0088
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0097 0.0065 0.2382
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0125 0.0092 0.4865
Onchocerca volvulus 0.022 0.0186 0.7169
Echinococcus multilocularis MAM 0.0044 0.0012 0.0016
Echinococcus multilocularis adam 0.0538 0.05 0.0679
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Echinococcus granulosus membrane bound transcription factor site 1 0.022 0.0186 0.0252
Trichomonas vaginalis hypothetical protein 0.023 0.0196 0.0495
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.022 0.0186 1
Echinococcus multilocularis Furin 1 0.1213 0.1167 0.1583
Loa Loa (eye worm) integrin beta-2 1.0152 1 1
Onchocerca volvulus 0.0131 0.0098 0.355
Plasmodium falciparum subtilisin-like protease 2 0.022 0.0186 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0136 0.0103 0.014
Echinococcus granulosus Furin 1 0.1213 0.1167 0.1583
Echinococcus multilocularis glutamate receptor 2 0.0048 0.0016 0.0022
Loa Loa (eye worm) fatty acid synthase 0.0084 0.0052 0.0052
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0083 0.0051 0.2607
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Echinococcus granulosus furin 0.5048 0.4957 0.6722
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0266 0.0232 0.0315
Schistosoma mansoni amine oxidase 0.0054 0.0022 0.0038
Trichomonas vaginalis WD repeat domain, putative 0.0131 0.0098 0.0163
Loa Loa (eye worm) hypothetical protein 0.0073 0.0041 0.0041
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1924 0.187 0.187
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0066 0.0034 0.0737
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0054 0.0022 0.0038
Loa Loa (eye worm) WD40 repeat protein 0.0131 0.0098 0.0098
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0081 0.0049 0.1648
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0235 0.0201 0.0273
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.022 0.0186 1
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0082 0.005 0.5
Brugia malayi metalloprotease 0.0065 0.0033 0.0033
Brugia malayi Disintegrin family protein 0.0098 0.0065 0.0065
Plasmodium vivax subtilisin-like protease 1 0.022 0.0186 1
Schistosoma mansoni hypothetical protein 0.0624 0.0586 0.1004
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0097 0.0065 0.0065
Loa Loa (eye worm) proprotein convertase 2 0.1213 0.1167 0.1167
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0737 0.0697 0.0946
Toxoplasma gondii subtilisin SUB5 0.022 0.0186 0.9433
Schistosoma mansoni integrin alpha 0.2682 0.2618 0.4488
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0048 0.0016 0.0022
Schistosoma mansoni protein kinase 0.0136 0.0103 0.0177
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.022 0.0186 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0097 0.0065 0.0111
Echinococcus granulosus disintegrin and metalloproteinase 0.0098 0.0065 0.0088
Schistosoma mansoni protein kinase 0.0136 0.0103 0.0177
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0097 0.0065 0.0065
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0055 0.0024 0.0654
Loa Loa (eye worm) subtilase 0.022 0.0186 0.0186
Loa Loa (eye worm) TK/EGFR protein kinase 0.0248 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0072 0.004 0.004
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0048 0.0016 0.0022
Toxoplasma gondii subtilisin SUB10 0.022 0.0186 0.9433
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0098 0.0065 0.0088
Echinococcus granulosus nmda type glutamate receptor 0.0112 0.008 0.0108
Echinococcus granulosus fibrillin 2 0.023 0.0196 0.0266
Plasmodium vivax subtilisin-like protease 2, putative 0.022 0.0186 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0065 0.0065
Brugia malayi amine oxidase, flavin-containing family protein 0.0077 0.0045 0.0045
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.1213 0.1167 0.2001
Schistosoma mansoni protein kinase 0.0136 0.0103 0.0177
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0059 0.0027 0.0037
Toxoplasma gondii subtilisin SUB4 0.022 0.0186 0.9433
Onchocerca volvulus 0.008 0.0048 0.1469
Toxoplasma gondii hypothetical protein 0.023 0.0196 1
Toxoplasma gondii subtilisin SUB12 0.022 0.0186 0.9433
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.022 0.0186 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0059 0.0027 0.0027
Echinococcus multilocularis integrin alpha ps 0.1303 0.1256 0.1703
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0234 0.02 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3079 0.3011 1
Echinococcus granulosus MAM 0.0044 0.0012 0.0016
Brugia malayi hypothetical protein 0.0044 0.0012 0.0012
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.022 0.0186 0.0252
Echinococcus granulosus epidermal growth factor receptor 0.0248 0.0214 0.0291
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0266 0.0231 0.0314
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.3079 0.3011 0.4083
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.5048 0.4957 0.8495
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0208 0.0356
Toxoplasma gondii subtilisin SUB11 0.022 0.0186 0.9433
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.022 0.0186 1
Toxoplasma gondii subtilisin SUB9 0.022 0.0186 0.9433
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0308 0.0273 0.0468
Schistosoma mansoni amine oxidase 0.0054 0.0022 0.0038
Brugia malayi endoprotease bli-4 precursor 0.5048 0.4957 0.4957
Schistosoma mansoni hypothetical protein 0.0059 0.0027 0.0046
Echinococcus multilocularis epidermal growth factor receptor 0.0248 0.0214 0.0291
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0119 0.0086 0.0086
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0041 0.1201
Echinococcus multilocularis protoporphyrinogen oxidase 0.0054 0.0022 0.003
Echinococcus multilocularis protein will die slowly 0.0131 0.0098 0.0133
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.022 0.0186 0.0318
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0081 0.0049 0.6201
Toxoplasma gondii subtilisin SUB8 0.022 0.0186 0.9433
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0119 0.0086 0.0086
Echinococcus multilocularis neuroendocrine convertase 2 0.3182 0.3113 0.4222
Loa Loa (eye worm) AMP-binding enzyme family protein 0.008 0.0048 0.0048
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0097 0.0065 0.0088
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0082 0.005 0.1741
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0737 0.0697 0.0946
Echinococcus multilocularis integrin alpha ps 0.0624 0.0586 0.0794
Brugia malayi Subtilase family protein 0.022 0.0186 0.0186
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0159 0.0126 0.0126
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0016 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Echinococcus granulosus integrin beta 2 0.7495 0.7374 1
Trichomonas vaginalis conserved hypothetical protein 0.022 0.0186 0.0459
Loa Loa (eye worm) hypothetical protein 0.023 0.0196 0.0196
Loa Loa (eye worm) reprolysin 0.0235 0.0201 0.0201
Brugia malayi AMP-binding enzyme family protein 0.008 0.0048 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.022 0.0186 0.0459
Toxoplasma gondii type I fatty acid synthase, putative 0.0061 0.0029 0.0943
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0054 0.0022 0.0045
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0016 0.0022
Brugia malayi EGF-like domain containing protein 0.023 0.0196 0.0196
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.3079 0.3011 0.4083
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0234 0.02 1
Schistosoma mansoni hypothetical protein 0.0044 0.0012 0.0021
Toxoplasma gondii type I fatty acid synthase, putative 0.0088 0.0055 0.2378
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.022 0.0186 0.0186
Mycobacterium tuberculosis Probable thioesterase TesA 0.0071 0.0039 0.1979
Brugia malayi proprotein convertase 2 0.3182 0.3113 0.3113
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Mycobacterium ulcerans polyketide synthase 0.0088 0.0055 0.206
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0235 0.0201 0.0345
Mycobacterium ulcerans polyketide synthase 0.0082 0.005 0.1741
Mycobacterium ulcerans Type I modular polyketide synthase 0.0082 0.005 0.1741
Loa Loa (eye worm) hypothetical protein 0.0044 0.0012 0.0012
Echinococcus multilocularis integrin alpha ps 0.1375 0.1327 0.18
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0125 0.0092 0.4865
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0041 0.116
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0082 0.005 0.2582
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0054 0.0022 0.0588
Echinococcus multilocularis integrin beta 2 0.7495 0.7374 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0138 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.1558 0.1508 0.1508
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.0022 0.106
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0082 0.005 0.1713
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0082 0.005 0.005
Echinococcus multilocularis fibrillin 1 0.0244 0.021 0.0285
Schistosoma mansoni hypothetical protein 0.0131 0.0098 0.0168
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0054 0.0022 0.0045
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0065 0.0033 0.0057
Onchocerca volvulus 0.0149 0.0116 0.4277
Brugia malayi Will die slowly protein 0.0131 0.0098 0.0098
Brugia malayi Furin-like cysteine rich region family protein 0.0248 0.0214 0.0214
Chlamydia trachomatis glutamine binding protein 0.0081 0.0049 0.6201
Loa Loa (eye worm) hypothetical protein 0.0044 0.0012 0.0012
Echinococcus granulosus c-Jun N-terminal kinases 0.0242 0.0208 0.0282
Loa Loa (eye worm) hypothetical protein 0.014 0.0108 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Loa Loa (eye worm) hypothetical protein 0.0059 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0266 0.0232 0.0232
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.022 0.0186 0.0459
Schistosoma mansoni tyrosine kinase 0.0248 0.0214 0.0367
Onchocerca volvulus 0.023 0.0196 0.7601
Loa Loa (eye worm) hypothetical protein 0.023 0.0196 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.0951 0.3042
Echinococcus granulosus protein will die slowly 0.0131 0.0098 0.0133
Echinococcus multilocularis 0.4055 0.3975 0.5391
Loa Loa (eye worm) kelch domain-containing protein family protein 0.1573 0.1523 0.1523
Loa Loa (eye worm) apoptosis regulator protein 0.0059 0.0027 0.0027
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1213 0.1167 0.3774
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0059 0.0027 0.0046

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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