Detailed information for compound 805107

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.475 | Formula: C20H29N5O5
  • H donors: 2 H acceptors: 5 LogP: 0.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)c1cnn2c1nc(cc2O)C1CCN(CC1)C(=O)OC(C)(C)C
  • InChi: 1S/C20H29N5O5/c1-20(2,3)30-19(28)24-8-5-13(6-9-24)15-11-16(26)25-17(23-15)14(12-22-25)18(27)21-7-10-29-4/h11-13,26H,5-10H2,1-4H3,(H,21,27)
  • InChiKey: FFMKQARWBWTWPT-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 hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Echinococcus granulosus integrin alpha 3 0.1038 0.1094 0.1187
Toxoplasma gondii subtilisin SUB8 0.0377 0.0381 1
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0082 0.0062 0.1618
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0377 0.0381 1
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0381 0.0646
Mycobacterium tuberculosis Transcriptional regulatory protein 0.005 0.0027 0.0711
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0037 0.0014 0.0011
Loa Loa (eye worm) WD40 repeat protein 0.007 0.0049 0.0046
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.005 0.0027 0.0258
Loa Loa (eye worm) hypothetical protein 0.0054 0.0032 0.0029
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Loa Loa (eye worm) integrin alpha pat-2 0.1987 0.2118 0.2116
Loa Loa (eye worm) hypothetical protein 0.0098 0.008 0.0077
Trypanosoma cruzi UDP-galactopyranose mutase 0.0101 0.0083 0.152
Brugia malayi EGF-like domain containing protein 0.0204 0.0193 0.0193
Schistosoma mansoni chromatin regulatory protein sir2 0.005 0.0027 0.0027
Echinococcus multilocularis integrin alpha ps 0.0344 0.0345 0.0465
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0027 0.0002 0.0002
Toxoplasma gondii subtilisin SUB12 0.0377 0.0381 1
Loa Loa (eye worm) endoprotease bli-4 0.8551 0.9203 0.9203
Mycobacterium ulcerans thioesterase TesA 0.0067 0.0045 0.1192
Trichomonas vaginalis hypothetical protein 0.1708 0.1817 0.3211
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Loa Loa (eye worm) hypothetical protein 0.0406 0.0411 0.0409
Loa Loa (eye worm) hypothetical protein 0.0204 0.0193 0.0191
Schistosoma mansoni amine oxidase 0.0101 0.0083 0.0087
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0377 0.0381 0.0381
Echinococcus multilocularis chromatin regulatory protein sir2 0.0337 0.0337 0.0454
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Echinococcus granulosus epidermal growth factor receptor 0.0542 0.0559 0.0605
Brugia malayi Trypsin family protein 0.0098 0.008 0.008
Mycobacterium tuberculosis Conserved hypothetical protein 0.0101 0.0083 0.2169
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0067 0.0045 0.1179
Brugia malayi SWIRM domain containing protein 0.054 0.0556 0.0556
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0176 0.0164 0.0176
Loa Loa (eye worm) hypothetical protein 0.0098 0.008 0.0077
Schistosoma mansoni apoptosis regulator bax 0.0054 0.0032 0.0032
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.5231 0.5619 0.6105
Echinococcus multilocularis disintegrin and metalloproteinase 0.0056 0.0034 0.0043
Toxoplasma gondii subtilisin SUB4 0.0377 0.0381 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0062 0.004 0.1047
Schistosoma mansoni integrin alpha-ps 0.0435 0.0443 0.0479
Loa Loa (eye worm) hypothetical protein 0.8551 0.9203 0.9203
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0057 0.0035 0.0932
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0227 0.0218 0.0293
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0377 0.0381 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0025 0.0001 0.0015
Mycobacterium tuberculosis Possible oxidoreductase 0.0101 0.0083 0.2169
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0337 0.0337 0.849
Schistosoma mansoni amine oxidase 0.0101 0.0083 0.0087
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.005 0.0027 0.0024
Loa Loa (eye worm) hypothetical protein 0.054 0.0556 0.0554
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0063 0.0041 0.1077
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0077 0.0057 0.1477
Brugia malayi Disintegrin family protein 0.0056 0.0034 0.0034
Giardia lamblia hypothetical protein 0.0204 0.0193 0.0521
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.005 0.0027 0.0033
Loa Loa (eye worm) hypothetical protein 0.332 0.3557 0.3556
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0377 0.0381 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.005 0.0027 0.0033
Giardia lamblia Transcriptional regulator, Sir2 family 0.005 0.0027 0.0024
Brugia malayi hypothetical protein 0.0176 0.0164 0.0164
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.005 0.0028 0.0722
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0082 0.0062 0.1631
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Plasmodium vivax subtilisin-like serine protease, putative 0.0377 0.0381 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0377 0.0381 1
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0204 0.0193 0.0311
Trypanosoma cruzi subtilisin peptidase 0.0377 0.0381 0.9691
Toxoplasma gondii histone deacetylase SIR2 0.005 0.0027 0.0652
Loa Loa (eye worm) hypothetical protein 0.0037 0.0014 0.0011
Brugia malayi Reprolysin 0.0079 0.0059 0.0059
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.2085 0.2224 0.2415
Toxoplasma gondii subtilisin SUB6 0.0377 0.0381 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0077 0.0057 0.149
Plasmodium vivax subtilisin-like protease 2, putative 0.0377 0.0381 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0337 0.0337 0.0337
Brugia malayi celfurPC protein 0.6843 0.736 0.736
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Schistosoma mansoni tyrosine kinase 0.0542 0.0559 0.0605
Brugia malayi endoprotease bli-4 precursor 0.8551 0.9203 0.9203
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0082 0.0062 0.1631
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0101 0.0083 0.2157
Plasmodium falciparum plasmepsin V 0.0255 0.0249 0.6276
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.005 0.0027 0.0033
Loa Loa (eye worm) hypothetical protein 0.0056 0.0034 0.0031
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0377 0.0381 0.0513
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.005 0.0028 0.0708
Giardia lamblia High cysteine protein 0.0204 0.0193 0.0521
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Loa Loa (eye worm) hypothetical protein 0.0135 0.0119 0.0117
Toxoplasma gondii type I fatty acid synthase, putative 0.0057 0.0035 0.0859
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0075 0.0054 0.1421
Schistosoma mansoni serine/threonine protein kinase 0.0085 0.0065 0.0068
Echinococcus granulosus c-Jun N-terminal kinases 0.0227 0.0218 0.0235
Schistosoma mansoni chromatin regulatory protein sir2 0.005 0.0027 0.0027
Echinococcus multilocularis integrin alpha 3 0.1038 0.1094 0.1481
Echinococcus multilocularis fibrillin 1 0.0233 0.0225 0.0302
Plasmodium falciparum subtilisin-like protease 1 0.0377 0.0381 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.1437 0.1524 0.1522
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0337 0.0337 0.0568
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Toxoplasma gondii type I fatty acid synthase, putative 0.0082 0.0062 0.1578
Brugia malayi amine oxidase, flavin-containing family protein 0.0143 0.0128 0.0128
Echinococcus granulosus fibrillin 1 0.0206 0.0196 0.021
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0337 0.0337 0.849
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0042 0.0019 0.0018
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0677 0.0704 0.0952
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0025 0.0000089163 0.0002
Brugia malayi Subtilase family protein 0.0377 0.0381 0.0381
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0037 0.0014 0.0012
Echinococcus granulosus adam 0.038 0.0384 0.0415
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Mycobacterium leprae Probable polyketide synthase Pks1 0.0082 0.0062 0.1618
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.005 0.0027 0.0027
Mycobacterium ulcerans polyketide synthase Pks9 0.005 0.0028 0.0722
Schistosoma mansoni chromatin regulatory protein sir2 0.0337 0.0337 0.0364
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0082 0.0062 0.1631
Echinococcus multilocularis adam 0.038 0.0384 0.0517
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0388 0.0392 1
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0381 0.0646
Trichomonas vaginalis hypothetical protein 0.0204 0.0193 0.0311
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0381 0.0646
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0377 0.0381 0.9691
Echinococcus multilocularis Tolloid protein 1 0.0037 0.0014 0.0015
Echinococcus granulosus Furin 1 0.2085 0.2224 0.2415
Mycobacterium ulcerans fatty acid synthase Fas 0.0025 0.0001 0.0015
Echinococcus granulosus Tolloid protein 1 0.0037 0.0014 0.0012
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0054 0.0032 0.0032
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0227 0.0218 0.0216
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Echinococcus multilocularis fibrillin 2 0.0204 0.0193 0.0259
Echinococcus multilocularis protein kinase c epsilon type 0.0085 0.0065 0.0085
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0117 0.0099 0.2612
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0101 0.0083 0.1569
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0337 0.0337 1
Loa Loa (eye worm) hypothetical protein 0.0435 0.0443 0.0441
Echinococcus granulosus chromatin regulatory protein sir2 0.0337 0.0337 0.0364
Trypanosoma brucei subtilisin peptidase 0.0377 0.0381 0.9691
Loa Loa (eye worm) hypothetical protein 0.0143 0.0128 0.0126
Echinococcus granulosus furin 0.8551 0.9203 1
Schistosoma mansoni hypothetical protein 0.0054 0.0032 0.0032
Toxoplasma gondii hypothetical protein 0.0204 0.0193 0.5045
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0077 0.0057 0.0057
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0377 0.0381 0.0411
Toxoplasma gondii subtilisin SUB9 0.0377 0.0381 1
Brugia malayi EGF-like domain containing protein 0.0204 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0054 0.0032 0.0032
Mycobacterium ulcerans thioesterase 0.0067 0.0045 0.1192
Loa Loa (eye worm) apoptosis regulator protein 0.0054 0.0032 0.0029
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0135 0.0119 0.0127
Mycobacterium ulcerans NAD-dependent deacetylase 0.005 0.0027 0.0711
Schistosoma mansoni protein kinase 0.0128 0.0112 0.0119
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5231 0.5619 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0077 0.0057 0.149
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0337 0.0337 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0077 0.0057 0.1477
Mycobacterium ulcerans Sir2-like regulatory protein 0.005 0.0027 0.0711
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0112 0.0094 0.0092
Loa Loa (eye worm) hypothetical protein 0.1068 0.1126 0.1124
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Onchocerca volvulus 0.0098 0.008 0.1395
Loa Loa (eye worm) hypothetical protein 0.0498 0.051 0.0508
Echinococcus granulosus disintegrin and metalloproteinase 0.0056 0.0034 0.0034
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0078 0.0057 0.1501
Loa Loa (eye worm) hypothetical protein 0.0498 0.051 0.0508
Brugia malayi ADAMTS-like protease 0.0079 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0344 0.0345 0.0373
Echinococcus multilocularis protein jagged 2 0.0204 0.0193 0.0259
Entamoeba histolytica hypothetical protein, conserved 0.005 0.0027 0.0258
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1341 0.1421 0.1542
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0337 0.0337 0.0364
Loa Loa (eye worm) integrin beta-2 0.9289 1 1
Loa Loa (eye worm) sirtuin 4 0.005 0.0027 0.0025
Echinococcus multilocularis Furin 1 0.2085 0.2224 0.3014
Giardia lamblia Tenascin precursor 0.0204 0.0193 0.0521
Loa Loa (eye worm) hypothetical protein 0.0204 0.0193 0.0191
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0135 0.0119 0.0158
Brugia malayi metalloprotease 0.0037 0.0014 0.0014
Mycobacterium ulcerans polyketide synthase Pks13 0.0117 0.0099 0.2612
Brugia malayi proprotein convertase 2 0.5405 0.5808 0.5808
Onchocerca volvulus 0.0085 0.0065 0.1137
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0377 0.0381 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0377 0.0381 0.0411
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0112 0.0094 0.0094
Giardia lamblia Tenascin-X 0.0204 0.0193 0.0521
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0101 0.0083 0.1569
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0054 0.0032 0.0032
Mycobacterium leprae Polyketide synthase Pks13 0.0117 0.0099 0.2601
Echinococcus multilocularis protoporphyrinogen oxidase 0.0101 0.0083 0.0109
Schistosoma mansoni integrin beta subunit 0.5429 0.5834 0.6338
Schistosoma mansoni dihydroceramide desaturase 0.0056 0.0034 0.0034
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Schistosoma mansoni chromatin regulatory protein sir2 0.005 0.0027 0.0027
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Echinococcus granulosus membrane bound transcription factor site 1 0.0377 0.0381 0.0411
Echinococcus granulosus integrin alpha ps 0.078 0.0815 0.0883
Loa Loa (eye worm) proprotein convertase 2 0.2085 0.2224 0.2223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0498 0.051 0.0689
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0077 0.0057 0.149
Echinococcus granulosus protein kinase c epsilon type 0.0085 0.0065 0.0068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Loa Loa (eye worm) hypothetical protein 0.0061 0.004 0.0037
Brugia malayi EGF-like domain containing protein 0.0204 0.0193 0.0193
Schistosoma mansoni protein kinase 0.0128 0.0112 0.0119
Giardia lamblia Hypothetical protein 0.0337 0.0337 0.095
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0054 0.0032 0.004
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0377 0.0381 0.0381
Loa Loa (eye worm) hypothetical protein 0.005 0.0027 0.0025
Echinococcus multilocularis epidermal growth factor receptor 0.0542 0.0559 0.0755
Brugia malayi AMP-binding enzyme family protein 0.0075 0.0054 0.0054
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0052 0.0029 0.0715
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Brugia malayi SWIRM domain containing protein 0.0042 0.0019 0.0019
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0062 0.004 0.1047
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0388 0.0392 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0078 0.0057 0.1501
Giardia lamblia High cysteine membrane protein Group 2 0.3145 0.3369 1
Brugia malayi protein kinase C II. 0.0085 0.0065 0.0065
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0082 0.0062 0.1631
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0075 0.0054 0.0052
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5231 0.5619 1
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Plasmodium falciparum subtilisin-like protease 2 0.0377 0.0381 1
Loa Loa (eye worm) subtilase 0.0377 0.0381 0.0378
Mycobacterium ulcerans polyketide synthase 0.0077 0.0057 0.149
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0381 0.0646
Loa Loa (eye worm) angiogenesis inhibito 0.0037 0.0014 0.0011
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0117 0.0099 0.2612
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0101 0.0083 0.1569
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.005 0.0027 0.0027
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Mycobacterium tuberculosis Probable thioesterase TesA 0.0067 0.0045 0.1192
Loa Loa (eye worm) transcriptional regulator 0.0337 0.0337 0.0335
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0337 0.0337 0.849
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0109 0.0091 0.0096
Schistosoma mansoni SWI/SNF complex-related 0.0042 0.0019 0.0018
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.008 0.0084
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0056 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0055 0.0033 0.003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Echinococcus multilocularis integrin beta 2 0.6856 0.7373 1
Giardia lamblia Furin precursor putative serine protease 0.1708 0.1817 0.5368
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0101 0.0083 0.1569
Brugia malayi Furin-like cysteine rich region family protein 0.0542 0.0559 0.0559
Brugia malayi neuroendocrine convertase 1 precursor 0.5405 0.5808 0.5808
Loa Loa (eye worm) hypothetical protein 0.0694 0.0722 0.072
Onchocerca volvulus 0.007 0.0049 0.0836
Loa Loa (eye worm) hypothetical protein 0.0042 0.0019 0.0016
Brugia malayi EGF-like domain containing protein 0.0204 0.0193 0.0193
Toxoplasma gondii subtilisin SUB11 0.0377 0.0381 1
Toxoplasma gondii SWIRM domain-containing protein 0.0042 0.0019 0.0436
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0082 0.0062 0.1618
Onchocerca volvulus 0.054 0.0556 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Schistosoma mansoni protein kinase 0.0128 0.0112 0.0119
Loa Loa (eye worm) reprolysin 0.0135 0.0119 0.0117
Loa Loa (eye worm) metalloprotease 0.0037 0.0014 0.0011
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0377 0.0381 1
Echinococcus multilocularis neuroendocrine convertase 2 0.5405 0.5808 0.7876
Onchocerca volvulus 0.0377 0.0381 0.6837
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0135 0.0119 0.0127
Brugia malayi Stress-activated protein kinase jnk-1 0.0227 0.0218 0.0218
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0677 0.0704 0.0763
Loa Loa (eye worm) transcriptional regulator 0.005 0.0027 0.0025
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.0002 0.0002
Schistosoma mansoni chromatin regulatory protein sir2 0.005 0.0027 0.0027
Brugia malayi Integrin alpha cytoplasmic region family protein 0.098 0.1031 0.1031
Brugia malayi transcriptional regulator, Sir2 family protein 0.005 0.0027 0.0027
Toxoplasma gondii subtilisin SUB2 0.0377 0.0381 1
Mycobacterium ulcerans oxidoreductase 0.0101 0.0083 0.2169
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.005 0.0027 0.0027
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0101 0.0083 0.2169
Brugia malayi transcriptional regulator, Sir2 family protein 0.005 0.0027 0.0027
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0377 0.0381 0.0411
Echinococcus granulosus neuroendocrine convertase 2 0.5405 0.5808 0.631
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0056 0.0034 0.0043
Echinococcus multilocularis integrin alpha ps 0.078 0.0815 0.1102
Echinococcus multilocularis 0.0101 0.0083 0.0109
Onchocerca volvulus 0.0075 0.0054 0.0935
Schistosoma mansoni chromatin regulatory protein sir2 0.0337 0.0337 0.0364
Onchocerca volvulus 0.0137 0.0122 0.2158
Plasmodium falciparum protoporphyrinogen oxidase 0.0101 0.0083 0.1569
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0381 0.0646
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0054 0.0032 0.0032
Brugia malayi hypothetical protein 0.0101 0.0083 0.0083
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0062 0.004 0.1034
Echinococcus granulosus adam 17 protease 0.0056 0.0034 0.0034
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0077 0.0057 0.149
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.0218 0.0235
Loa Loa (eye worm) hypothetical protein 0.0101 0.0083 0.008
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.1708 0.1817 0.3211
Echinococcus multilocularis serine:threonine protein kinase N2 0.0078 0.0057 0.0074
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.1708 0.1817 0.3211
Echinococcus multilocularis integrin alpha ps 0.0718 0.0749 0.1013
Echinococcus multilocularis 0.6843 0.736 0.9981
Schistosoma mansoni furin-1 (S08 family) 0.3697 0.3964 0.4306
Echinococcus granulosus serine:threonine protein kinase N2 0.0069 0.0048 0.005
Giardia lamblia Tenascin-37 0.0204 0.0193 0.0521
Loa Loa (eye worm) hypothetical protein 0.0204 0.0193 0.0191
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0037 0.0014 0.0012
Brugia malayi Integrin alpha pat-2 precursor 0.1412 0.1498 0.1498
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Trichomonas vaginalis WD repeat domain, putative 0.007 0.0049 0.0053
Echinococcus granulosus integrin beta 2 0.6856 0.7373 0.8011
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.8551 0.9203 1
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Echinococcus granulosus protein will die slowly 0.007 0.0049 0.005
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0077 0.0057 0.149
Leishmania major subtilisin-like serine peptidase 0.0377 0.0381 1
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0083 0.1569
Loa Loa (eye worm) hypothetical protein 0.0042 0.0018 0.0016
Schistosoma mansoni integrin alpha-ps 0.0718 0.0749 0.0811
Leishmania major silent information regulator 2, putative 0.0337 0.0337 0.8761
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Mycobacterium ulcerans dehydrogenase 0.0101 0.0083 0.2169
Giardia lamblia High cysteine protein 0.0204 0.0193 0.0521
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.005 0.0027 0.0258
Loa Loa (eye worm) hypothetical protein 0.0204 0.0193 0.0191
Brugia malayi Fibulin-1 precursor 0.0027 0.0002 0.0002
Leishmania major UDP-galactopyranose mutase 0.0101 0.0083 0.1569
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.004 0.0017 0.0388
Loa Loa (eye worm) hypothetical protein 0.0079 0.0059 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Toxoplasma gondii subtilisin SUB1 0.0377 0.0381 1
Plasmodium vivax subtilisin-like protease 1 0.0377 0.0381 1
Onchocerca volvulus 0.0139 0.0124 0.2192
Giardia lamblia Neurogenic locus notch-like protein 0.0204 0.0193 0.0521
Loa Loa (eye worm) acyl carrier protein 0.0037 0.0013 0.0011
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0244 0.0237 0.0255
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0498 0.051 0.0552
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.5231 0.5619 0.762
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0388 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.0115 0.0113
Toxoplasma gondii subtilisin SUB10 0.0377 0.0381 1
Toxoplasma gondii histone deacetylase SIR2-like 0.005 0.0027 0.0652
Brugia malayi angiogenesis inhibito 0.0079 0.0059 0.0059
Toxoplasma gondii subtilisin SUB7 0.0377 0.0381 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0377 0.0381 0.0411
Loa Loa (eye worm) hypothetical protein 0.0042 0.0019 0.0016
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0045 0.0023 0.0592
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0337 0.0337 0.0454
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Giardia lamblia Sirtuin type 2 0.005 0.0027 0.0024
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0082 0.0062 0.1631
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Schistosoma mansoni septate junction protein 0.0028 0.0004 0.0001
Brugia malayi Will die slowly protein 0.007 0.0049 0.0049
Loa Loa (eye worm) transcriptional regulator 0.005 0.0027 0.0025
Schistosoma mansoni site-1 peptidase (S08 family) 0.0377 0.0381 0.0411
Toxoplasma gondii subtilisin SUB5 0.0377 0.0381 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0032 0.0008 0.022
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.0014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0079 0.0059 0.0056
Mycobacterium ulcerans Type I modular polyketide synthase 0.0077 0.0057 0.149
Echinococcus multilocularis membrane bound transcription factor site 1 0.0377 0.0381 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Onchocerca volvulus Fatty acid synthase homolog 0.0144 0.0129 0.2289
Loa Loa (eye worm) hypothetical protein 0.0101 0.0083 0.008
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0337 0.0337 0.0568
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0128 0.0112 0.0119
Schistosoma mansoni integrin alpha 0.1412 0.1498 0.1625
Brugia malayi ADAM-TS Spacer 1 family protein 0.0079 0.0059 0.0059
Giardia lamblia Tenascin-like 0.0204 0.0193 0.0521
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0085 0.0065 0.0063
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0042 0.0019 0.0022
Toxoplasma gondii histone lysine-specific demethylase 0.0101 0.0083 0.2119
Echinococcus granulosus lysine specific histone demethylase 1A 0.0101 0.0083 0.0087
Schistosoma mansoni chromatin regulatory protein sir2 0.0337 0.0337 0.0364
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0101 0.0083 0.0087
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0377 0.0381 1
Mycobacterium ulcerans monoamine oxidase 0.0101 0.0083 0.2169
Loa Loa (eye worm) hypothetical protein 0.1426 0.1513 0.1511
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0101 0.0083 0.2169
Giardia lamblia Neurogenic locus Notch protein precursor 0.0204 0.0193 0.0521
Mycobacterium leprae Possible secreted protease 0.0377 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0377 0.0381 0.0378
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0135 0.0119 0.0127
Echinococcus granulosus lysine specific histone demethylase 1A 0.0498 0.051 0.0552
Echinococcus granulosus integrin alpha ps 0.0344 0.0345 0.0373
Plasmodium falciparum subtilisin-like protease 3 0.0377 0.0381 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0069 0.0048 0.0923
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0101 0.0083 0.2119
Schistosoma mansoni hypothetical protein 0.0054 0.0032 0.0032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2085 0.2224 0.3938
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.1708 0.1817 0.3211
Loa Loa (eye worm) fatty acid synthase 0.0079 0.0059 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Brugia malayi hypothetical protein 0.1426 0.1513 0.1513
Plasmodium vivax plasmepsin V, putative 0.0255 0.0249 0.6276
Brugia malayi Kelch motif family protein 0.1437 0.1524 0.1524
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Schistosoma mansoni hypothetical protein 0.1708 0.1817 0.1972
Toxoplasma gondii aspartyl protease ASP5 0.0233 0.0225 0.5871
Onchocerca volvulus 0.0204 0.0193 0.3449
Echinococcus multilocularis protein will die slowly 0.007 0.0049 0.0063
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0101 0.0083 0.2169
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.005 0.0027 0.0015
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0083 0.1569
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0128 0.0112 0.0148
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0377 0.0381 0.0646
Echinococcus granulosus fibrillin 2 0.0204 0.0193 0.0207
Loa Loa (eye worm) TK/EGFR protein kinase 0.0542 0.0559 0.0556
Loa Loa (eye worm) hypothetical protein 0.098 0.1031 0.1029
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0377 0.0381 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.005 0.0027 0.0027
Mycobacterium ulcerans Type I modular polyketide synthase 0.0077 0.0057 0.149
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0377 0.0381 1
Mycobacterium ulcerans polyketide synthase 0.0082 0.0062 0.1631
Schistosoma mansoni hypothetical protein 0.007 0.0049 0.005
Chlamydia trachomatis protoporphyrinogen oxidase 0.0101 0.0083 0.5
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0149 0.0134 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.1708 0.1817 0.3211
Trypanosoma cruzi UDP-galactopyranose mutase 0.0101 0.0083 0.152

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours. (Class of assay: confirmatory) [Related pubchem assays: 1522, 1416 ] ChEMBL. No reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay to measure PERK inhibition. (Class of assay: confirmatory) [Related pubchem assays: 1416 ] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 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
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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