Detailed information for compound 29673

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.489 | Formula: C21H31N3O3
  • H donors: 1 H acceptors: 4 LogP: 2.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)CCN(CC2)c1ccncc1)CCCCCC(=O)O
  • InChi: 1S/C21H31N3O3/c25-19(4-2-1-3-5-20(26)27)24-16-10-21(11-17-24)8-14-23(15-9-21)18-6-12-22-13-7-18/h6-7,12-13H,1-5,8-11,14-17H2,(H,26,27)
  • InChiKey: ZMQYECIGILMMEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) References
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
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
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0038 0.0067
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0022 0.0012 0.0022
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0026 0.0019 0.0019
Schistosoma mansoni protein kinase 0.0033 0.003 0.003
Echinococcus granulosus geminin 0.0175 0.0271 0.0271
Entamoeba histolytica protein kinase, putative 0.0033 0.003 0.7503
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0022 0.0012 0.0012
Mycobacterium tuberculosis Hypothetical protein 0.0376 0.0611 0.0611
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0022 0.0012 0.0203
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0031 0.0054
Schistosoma mansoni glucose transport protein 0.0107 0.0155 0.0155
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0026 0.0019 0.0019
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0022 0.0012 0.0012
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0038 0.0067
Schistosoma mansoni smdr2 0.0022 0.0012 0.0012
Onchocerca volvulus 0.0791 0.1312 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0031 0.0054
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0026 0.0019 0.0034
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0026 0.0019 0.0019
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0029 0.0029
Plasmodium falciparum hexose transporter 0.0107 0.0155 0.0276
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0015 0.0015
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0031 0.0502
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.005 0.005
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0012 0.0012
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Trichomonas vaginalis abcb9, putative 0.0022 0.0012 0.0203
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0026 0.0019 0.0019
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0012 0.0012
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0107 0.0155 0.0155
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0026 0.0019 0.0034
Schistosoma mansoni transcription factor btf3 0.0036 0.0036 0.0036
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0019 0.001
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.5927 1 1
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0015 0.0027
Leishmania major cytochrome p450-like protein 0.0026 0.0019 0.0034
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0012 0.0012
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.003 0.0053
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0026 0.0019 0.0019
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.003 0.003
Plasmodium vivax multidrug resistance protein 1, putative 0.0022 0.0012 0.0022
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0029 0.002
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0009 0.0009
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Mycobacterium ulcerans thymidylate synthase 0.0791 0.1312 0.1312
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0012 0.0012
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0012 0.0012
Schistosoma mansoni integrin beta subunit 0.0223 0.0351 0.0351
Brugia malayi Cytochrome P450 family protein 0.0045 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0031 0.0502
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0029 0.0029
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0026 0.0019 0.0019
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0002 0.0004
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Loa Loa (eye worm) hypothetical protein 0.014 0.0211 0.0211
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3344 0.563 1
Echinococcus multilocularis multidrug resistance protein 1 0.0016 0.0001 0.0001
Leishmania major basic transcription factor 3a, putative 0.0036 0.0036 0.0064
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0026 0.0019 0.0019
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0036 0.0036
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0019
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0022 0.0012 0.0203
Trichomonas vaginalis abcb9, putative 0.0022 0.0012 0.0203
Echinococcus multilocularis 0.0026 0.0019 0.0019
Mycobacterium leprae putative cytochrome p450 0.0026 0.0019 0.001
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0001 0.0001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Plasmodium falciparum multidrug resistance protein 1 0.0022 0.0012 0.0022
Schistosoma mansoni protein kinase 0.0033 0.003 0.003
Schistosoma mansoni multidrug resistance protein 0.0022 0.0012 0.0012
Loa Loa (eye worm) cytochrome P450 0.0026 0.0019 0.0019
Trichomonas vaginalis taga, putative 0.0022 0.0012 0.0203
Toxoplasma gondii facilitative glucose transporter GT1 0.0107 0.0155 0.0276
Loa Loa (eye worm) integrin alpha pat-2 0.0285 0.0456 0.0456
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0012 0.0012
Trypanosoma cruzi hexose transporter 0.0033 0.0031 0.0054
Echinococcus multilocularis integrin alpha ps 0.0083 0.0115 0.0115
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0002
Trypanosoma brucei glucose transporter 1E 0.0033 0.0031 0.0054
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0015 0.0027
Echinococcus granulosus integrin alpha ps 0.0083 0.0115 0.0115
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0057 0.0072 0.0072
Leishmania major glucose transporter, lmgt2 0.0033 0.0031 0.0054
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0791 0.1312 0.1312
Echinococcus multilocularis integrin alpha ps 0.0083 0.0115 0.0115
Leishmania major protein kinase, putative 0.0033 0.003 0.0053
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0012 0.0203
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.0012 0.0012
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0029 1
Entamoeba histolytica hypothetical protein 0.0024 0.0015 0.109
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0026 0.0019 0.0019
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0012 0.0012
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0002
Plasmodium falciparum protein kinase 7 0.0302 0.0485 0.0862
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Schistosoma mansoni integrin alpha-ps 0.0043 0.0047 0.0047
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0002 0.0002
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0173 0.0267 0.0474
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Echinococcus multilocularis thymidylate synthase 0.0791 0.1312 0.1312
Toxoplasma gondii protein kinase, putative 0.0302 0.0485 0.0862
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0026 0.0019 0.0019
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0 0.5
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.003 0.0053
Brugia malayi hypothetical protein 0.0057 0.0072 0.0072
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Loa Loa (eye worm) hypothetical protein 0.0022 0.0012 0.0012
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0026 0.0019 0.0019
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Plasmodium vivax hexose transporter 0.0107 0.0155 0.0276
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.003 0.0053
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0002 0.0002
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0015 0.0027
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0038 0.0067
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0012 0.0203
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0376 0.0611 0.1085
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0026 0.0019 0.0019
Echinococcus granulosus dihydrofolate reductase 0.5927 1 1
Leishmania major cytochrome p450-like protein 0.0045 0.005 0.009
Leishmania major cytochrome p450-like protein 0.0026 0.0019 0.0034
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0015 0.0015
Brugia malayi multidrug resistance protein 3 0.0022 0.0012 0.0012
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0026 0.0019 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0026 0.0019 0.0019
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0009 0.0009
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.003 0.003
Chlamydia trachomatis dihydrofolate reductase 0.5927 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0026 0.0019 0.0019
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0026 0.0019 0.0019
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Toxoplasma gondii cytochrome p450 superfamily protein 0.0026 0.0019 0.0034
Loa Loa (eye worm) hypothetical protein 0.0022 0.0012 0.0012
Leishmania major p-glycoprotein 0.0022 0.0012 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0036 0.0586
Schistosoma mansoni integrin alpha 0.0185 0.0287 0.0287
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0026 0.0019 0.0019
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.005 0.009
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.003 0.0053
Echinococcus multilocularis geminin 0.0175 0.0271 0.0271
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0024 0.0015 0.0015
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0038 0.0067
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0015 0.0027
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0031 0.0054
Echinococcus granulosus integrin alpha ps 0.004 0.0042 0.0042
Brugia malayi Cam kinase protein 1 0.0033 0.003 0.003
Schistosoma mansoni glucose transport protein 0.0107 0.0155 0.0155
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0016 0.0001 0.0016
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0026 0.0019 0.0019
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Loa Loa (eye worm) CYP4Cod1 0.0045 0.005 0.005
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0012 0.0012
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0015 0.0006
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0057 0.0072 0.0072
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.003 0.0053
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Brugia malayi Integrin beta pat-3 precursor 0.0378 0.0614 0.0614
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3344 0.563 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus integrin alpha 3 0.0142 0.0214 0.0214
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0015 0.0003
Echinococcus multilocularis transcription factor btf3 0.0036 0.0036 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.003 0.049
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0022 0.0012 0.0012
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0026 0.0019 0.0019
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0015 0.0015
Schistosoma mansoni multidrug resistance protein 0.0022 0.0012 0.0012
Leishmania major glucose transporter, lmgt3 0.0033 0.0031 0.0054
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0004
Echinococcus multilocularis General substrate transporter 0.0092 0.013 0.013
Brugia malayi hypothetical protein 0.0376 0.0611 0.0611
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.003 0.0053
Echinococcus granulosus General substrate transporter 0.0092 0.013 0.013
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.001 0.0163
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0791 0.1312 0.1305
Brugia malayi Cytochrome P450 family protein 0.0087 0.0122 0.0122
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.0004
Schistosoma mansoni dihydrofolate reductase 0.5927 1 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0029 0.7024
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0031 0.0502
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0002
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0012 0.0203
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0026 0.0019 0.0019
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0012 0.0012
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0173 0.0267 0.0474
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.003 0.0053
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0038 0.0067
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.0012 0.0012
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0026 0.0019 0.0019
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3344 0.563 1
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0026 0.0019 0.0019
Plasmodium vivax CDK-related protein kinase 6, putative 0.0454 0.0742 0.1318
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0004
Entamoeba histolytica protein kinase, putative 0.0033 0.003 0.7503
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0026 0.0019 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0026 0.0019 0.0019
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0026 0.0019 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0026 0.0019 0.0019
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0026 0.0019 0.0019
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0026 0.0019 0.0019
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0031 0.0054
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0042
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0002 0.0004
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0038 0.0067
Brugia malayi Cytochrome P450 family protein 0.0045 0.005 0.005
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.5927 1 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0031 0.0054
Brugia malayi thymidylate synthase 0.0791 0.1312 0.1312
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0015 0.5182
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0047
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0036 0.0064
Loa Loa (eye worm) dihydrofolate reductase 0.5927 1 1
Echinococcus multilocularis integrin alpha ps 0.004 0.0042 0.0042
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Brugia malayi Sugar transporter family protein 0.0107 0.0155 0.0155
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0012 0.0203
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0036 0.0064
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0012 0.0203
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0015 0.0027
Brugia malayi Dihydrofolate reductase 0.5927 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3344 0.563 1
Trypanosoma brucei cytochrome P450, putative 0.0045 0.005 0.009
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Schistosoma mansoni glucose transport protein 0.0107 0.0155 0.0155
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0031 0.0054
Echinococcus granulosus cytochrome P450 2K1 0.0026 0.0019 0.0019
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0012 0.0203
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0012 0.0203
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.005 0.005
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0026 0.0019 0.0019
Plasmodium falciparum mitogen-activated protein kinase 2 0.0173 0.0267 0.0474
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0015 0.0015
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.003 0.003
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.5927 1 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0036 0.0064
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0026 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0376 0.0611 1
Schistosoma mansoni hypothetical protein 0.004 0.0042 0.0042
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0031 0.0054
Onchocerca volvulus 0.0022 0.0012 0.0094
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0027 0.0027
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0026 0.0019 0.0019
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0031 0.0502
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0022 0.0012 0.0022
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0015 0.0015
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0005 0.0009
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0026 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0036 0.0586
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0004
Echinococcus granulosus transcription factor btf3 0.0036 0.0036 0.0036
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.003 0.0053
Loa Loa (eye worm) sugar transporter 0.0107 0.0155 0.0155
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0012 0.0012
Brugia malayi ABC transporter family protein 0.0022 0.0012 0.0012
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0026 0.0019 0.0019
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.0004
Schistosoma mansoni multidrug resistance protein 0.0022 0.0012 0.0012
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3344 0.563 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0026 0.0019 0.0019
Brugia malayi Cytochrome P450 family protein 0.0026 0.0019 0.0019
Schistosoma mansoni cytochrome P450 0.0026 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0107 0.0155 0.0155
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0026 0.0019 0.0034
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0029 0.0029
Echinococcus granulosus thymidylate synthase 0.0791 0.1312 0.1312
Trichomonas vaginalis abcb9, putative 0.0022 0.0012 0.0203
Brugia malayi beta-NAC-like protein 0.0036 0.0036 0.0036
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.003 0.0053
Trypanosoma brucei glucose transporter 2A 0.0033 0.0031 0.0054
Loa Loa (eye worm) hypothetical protein 0.0032 0.0029 0.0029
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0029 0.0029
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0036 0.0064
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0002
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0026 0.0019 0.0019
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0031 0.0502
Schistosoma mansoni protein kinase 0.0033 0.003 0.003
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0791 0.1312 0.1312
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0038 0.0067
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Schistosoma mansoni integrin alpha-ps 0.0083 0.0115 0.0115
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0026 0.0019 0.0034
Plasmodium falciparum protein kinase 6 0.0454 0.0742 0.1318
Brugia malayi cytochrome P450 0.0026 0.0019 0.0019
Loa Loa (eye worm) integrin beta-2 0.0378 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0102 0.0147 0.0147
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.003 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0036 0.0586
Brugia malayi Integrin alpha pat-2 precursor 0.0185 0.0287 0.0287
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Brugia malayi Integrin alpha cytoplasmic region family protein 0.014 0.0211 0.0211
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.005 0.005
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0026 0.0019 0.0019
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0026 0.0019 0.0019
Leishmania major glucose transporter, lmgt1 0.0033 0.0031 0.0054
Schistosoma mansoni hypothetical protein 0.0175 0.0271 0.0271
Schistosoma mansoni hypothetical protein 0.0026 0.0019 0.0019
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.003 0.0053
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.005 0.009
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0026 0.0019 0.0034
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0026 0.0019 0.0019
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0036 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Entamoeba histolytica hypothetical protein 0.0036 0.0036 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0012 0.0203
Loa Loa (eye worm) thymidylate synthase 0.0791 0.1312 0.1312
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.0155 0.2543
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0012 0.0203
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0036 0.0064
Brugia malayi Kelch motif family protein 0.0057 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0145 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0175 0.0271 0.0271
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0012 0.0203
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0038 0.0067
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0036 0.0064
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0015 0.0015
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0012 0.0203
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0026 0.0019 0.0019
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0022 0.0012 0.0012
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0015 0.0244
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0029 0.0029
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.003 0.0053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus multilocularis integrin beta 2 0.028 0.0449 0.0449
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0012 0.0012
Trypanosoma brucei glucose transporter, putative 0.0033 0.0031 0.0054
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0012 0.0012
Echinococcus multilocularis dihydrofolate reductase 0.5927 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.003 0.003
Loa Loa (eye worm) cytochrome P450 family protein 0.0087 0.0122 0.0122
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.003 0.0053
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0033 0.003 0.003
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0029 0.0472
Echinococcus multilocularis integrin alpha 3 0.0142 0.0214 0.0214
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.003 0.003
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0015 0.0027
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0032 0.0029 0.0029
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.003 0.003
Leishmania major dihydrofolate reductase-thymidylate synthase 0.3344 0.563 1
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0031 0.0502
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0029 0.0029
Echinococcus granulosus integrin beta 2 0.028 0.0449 0.0449
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0031 0.0502
Loa Loa (eye worm) multidrug resistance protein 3 0.0022 0.0012 0.0012
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.0155 0.0155
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0002 0.0002
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0022 0.0012 0.0022

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.27 uM Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA ChEMBL. 11392539
IC50 (binding) = 0.27 uM Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA ChEMBL. 11392539
IC50 (functional) = 4.55 uM Inhibition of aggregation of ADP-stimulated human platelets ChEMBL. 11392539
IC50 (functional) = 4.55 uM Inhibition of aggregation of ADP-stimulated human platelets ChEMBL. 11392539
IC50 (binding) > 100 uM Inhibitory concentration of the compound against alphaV-beta3 integrin ChEMBL. 11392539
IC50 (binding) > 100 uM Inhibitory concentration of the compound against alphaV-beta3 integrin ChEMBL. 11392539

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11392539

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.