Detailed information for compound 177911

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.476 | Formula: C23H25N5O4
  • H donors: 4 H acceptors: 5 LogP: 1.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C[C@@H]1Nc2ccc(cc2CN(C1=O)C(C)C)C(=O)NCc1nc2c([nH]1)cccc2
  • InChi: 1S/C23H25N5O4/c1-13(2)28-12-15-9-14(7-8-16(15)25-19(23(28)32)10-21(29)30)22(31)24-11-20-26-17-5-3-4-6-18(17)27-20/h3-9,13,19,25H,10-12H2,1-2H3,(H,24,31)(H,26,27)(H,29,30)/t19-/m0/s1
  • InChiKey: ZKSIEMHDCDZHLO-IBGZPJMESA-N  


Substructure search Similarity search

Network

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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) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, 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 Integrin beta-PS 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
Schistosoma mansoni patched 1 0.004 0.0017 0.0015
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.026 0.0212 0.0846
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.026 0.0212 0.0317
Leishmania major acetyl-CoA carboxylase, putative 0.7414 0.6568 1
Schistosoma mansoni hypothetical protein 0.0184 0.0146 0.0143
Onchocerca volvulus 0.0207 0.0165 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.002 0.0018
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1005 0.0874 0.1329
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0028 0.0007 0.002
Treponema pallidum NADH oxidase 0.0028 0.0007 0.0097
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.026 0.0212 0.0317
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1005 0.0874 0.2141
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1005 0.0874 0.3506
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0002 0.0002
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.026 0.0212 0.0438
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.7414 0.6568 0.6567
Schistosoma mansoni acetyl-CoA carboxylase 0.7414 0.6568 0.6567
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.026 0.0212 0.0313
Echinococcus granulosus lysine specific demethylase 5A 0.0056 0.0032 0.003
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0207 0.0165 0.0163
Leishmania major thymidine kinase, putative 0.025 0.0204 0.0308
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.026 0.0212 0.0317
Echinococcus multilocularis integrin beta 2 0.028 0.0231 0.0229
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1005 0.0874 0.2141
Toxoplasma gondii NADPH-glutathione reductase 0.0028 0.0007 0.0003
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0279 0.023 0.2065
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.026 0.0212 0.0321
Loa Loa (eye worm) hypothetical protein 0.0145 0.011 0.0109
Brugia malayi Cytochrome P450 family protein 0.0024 0.0003 0.0003
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0058 0.0033 0.0031
Mycobacterium ulcerans hypothetical protein 0.026 0.0212 0.0846
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1005 0.0874 0.3506
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2824 0.249 0.6129
Plasmodium falciparum amino acid transporter, putative 0.0207 0.0165 0.0339
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0058 0.0033 0.0031
Echinococcus granulosus Niemann Pick C1 protein 0.0094 0.0065 0.0063
Plasmodium falciparum glutathione reductase 0.0081 0.0054 0.0104
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1264 0.1105 1
Echinococcus granulosus Biotin lipoyl attachment 0.026 0.0212 0.021
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0206 0.0165 0.0655
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.026 0.0212 0.0508
Brugia malayi Integrin alpha pat-2 precursor 0.0185 0.0146 0.0146
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.026 0.0212 0.0438
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1005 0.0874 0.0872
Echinococcus multilocularis serotonin transporter 0.0207 0.0165 0.0163
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0028 0.0007 0.002
Plasmodium falciparum thioredoxin reductase 0.0081 0.0054 0.0104
Trypanosoma cruzi thymidine kinase, putative 0.025 0.0204 0.0487
Loa Loa (eye worm) hypothetical protein 0.014 0.0106 0.0104
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0002 0.0002
Echinococcus multilocularis Niemann Pick C1 protein 0.0134 0.0101 0.0099
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0136 0.0103 0.0406
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.026 0.0212 0.0317
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.7414 0.6568 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0638 0.0549 0.0546
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0028 0.0007 0.0007
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0092
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0056 0.0032 0.003
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0638 0.0549 0.0826
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2824 0.249 0.3785
Echinococcus granulosus integrin alpha 3 0.0142 0.0107 0.0105
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5365 0.4748 1
Loa Loa (eye worm) hypothetical protein 0.026 0.0212 0.0211
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0164
Loa Loa (eye worm) hypothetical protein 0.1366 0.1195 0.1193
Plasmodium falciparum carbamoyl phosphate synthetase 0.0638 0.0549 0.1147
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.026 0.0212 0.021
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2824 0.249 1
Leishmania major carboxylase, putative 0.2824 0.249 0.379
Loa Loa (eye worm) hypothetical protein 0.0075 0.0048 0.0046
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0028 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0048 0.0024 0.0022
Brugia malayi jmjC domain containing protein 0.0056 0.0032 0.0032
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.026 0.0212 0.0313
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.026 0.0212 0.0313
Schistosoma mansoni sodium/chloride dependent transporter 0.0207 0.0165 0.0163
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0028 0.0007 0.0007
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0028 0.0007 0.0007
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0058 0.0033 0.0126
Schistosoma mansoni integrin alpha 0.0185 0.0146 0.0143
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.0033 0.0126
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0185 0.0146 0.0581
Schistosoma mansoni hypothetical protein 0.0184 0.0146 0.0143
Schistosoma mansoni sodium/chloride dependent transporter 0.0207 0.0165 0.0163
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0186
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.026 0.0212 0.0321
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0279 0.023 0.2065
Schistosoma mansoni jumonji/arid domain-containing protein 0.0056 0.0032 0.0029
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0165
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0185 0.0146 0.0581
Echinococcus multilocularis protein dispatched 1 0.0046 0.0023 0.0021
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0185 0.0146 0.0581
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0081 0.0054 0.0209
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0028 0.0007 0.0005
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2824 0.249 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0024 0.0024
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2824 0.249 0.2489
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0638 0.0549 0.0546
Echinococcus multilocularis peptidase Clp (S14 family) 0.0049 0.0025 0.0023
Trypanosoma cruzi acetyl-CoA carboxylase 0.459 0.4059 1
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.026 0.0212 0.0846
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.026 0.0212 0.021
Trypanosoma brucei unspecified product 0.1856 0.1631 0.2476
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0164
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.026 0.0212 0.021
Loa Loa (eye worm) serotonin transporter b 0.0207 0.0165 0.0164
Echinococcus granulosus serotonin transporter 0.0207 0.0165 0.0163
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0165
Onchocerca volvulus 0.0207 0.0165 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0075 0.0048 0.0186
Schistosoma mansoni hypothetical protein 0.0033 0.0011 0.0008
Loa Loa (eye worm) hypothetical protein 0.004 0.0017 0.0015
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.026 0.0212 0.0321
Trypanosoma brucei trypanothione reductase 0.0081 0.0054 0.0072
Toxoplasma gondii hypothetical protein 0.0207 0.0165 0.0245
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0046
Schistosoma mansoni integrin alpha-ps 0.0083 0.0055 0.0053
Echinococcus multilocularis Biotin lipoyl attachment 0.026 0.0212 0.021
Loa Loa (eye worm) hypothetical protein 0.0033 0.0011 0.0009
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0075 0.0048 0.0066
Schistosoma mansoni hypothetical protein 0.0039 0.0016 0.0014
Echinococcus granulosus integrin beta 2 0.028 0.0231 0.0229
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0207 0.0165 0.0163
Leishmania major trypanothione reductase 0.0081 0.0054 0.0079
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.004 0.0017 0.0553
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0207 0.0165 0.0165
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1005 0.0874 0.385
Loa Loa (eye worm) thioredoxin reductase 0.0081 0.0054 0.0052
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0024 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.7414 0.6568 0.6567
Echinococcus granulosus sodium and chloride dependent glycine 0.0207 0.0165 0.0163
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0028 0.0007 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.0033 0.0126
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0186
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2824 0.249 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0206 0.0165 0.0655
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1005 0.0874 0.3506
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2824 0.249 0.2489
Schistosoma mansoni peptidase Clp (S14 family) 0.0075 0.0048 0.0045
Toxoplasma gondii aldehyde dehydrogenase 0.0058 0.0033 0.0044
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.0033 0.0126
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0011 0.0011
Brugia malayi Carboxyl transferase domain containing protein 0.7154 0.6337 0.6337
Loa Loa (eye worm) hypothetical protein 0.004 0.0017 0.0016
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.026 0.0212 0.0321
Schistosoma mansoni hypothetical protein 0.004 0.0017 0.0014
Echinococcus granulosus peptidase Clp S14 family 0.0049 0.0025 0.0023
Brugia malayi hypothetical protein 0.0057 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Plasmodium vivax glutathione reductase, putative 0.0081 0.0054 0.0104
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1005 0.0874 0.3506
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0058 0.0033 0.0048
Loa Loa (eye worm) integrin alpha pat-2 0.0285 0.0235 0.0233
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.026 0.0212 0.0212
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.026 0.0212 0.021
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1264 0.1105 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0165
Schistosoma mansoni pyruvate carboxylase 0.2824 0.249 0.2489
Leishmania major carbamoyl-phosphate synthase, putative 0.0638 0.0549 0.0833
Echinococcus multilocularis expressed conserved protein 0.0088 0.006 0.0058
Toxoplasma gondii pyruvate carboxylase 0.2824 0.249 0.3788
Mycobacterium tuberculosis Probable reductase 0.0185 0.0146 0.0581
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0028 0.0007 0.0005
Schistosoma mansoni sodium/chloride dependent transporter 0.0207 0.0165 0.0163
Loa Loa (eye worm) hypothetical protein 0.0115 0.0084 0.0082
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2824 0.249 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Toxoplasma gondii thioredoxin reductase 0.0081 0.0054 0.0075
Loa Loa (eye worm) hypothetical protein 0.0049 0.0026 0.0024
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0057 0.0033 0.0031
Trypanosoma brucei acetyl-CoA carboxylase 0.7414 0.6568 1
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.026 0.0212 0.0212
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.1366 0.1195 0.1193
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0046
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.004 0.0017 0.0016
Brugia malayi Kelch motif family protein 0.0057 0.0033 0.0033
Loa Loa (eye worm) norepinephrine transporter 0.0207 0.0165 0.0164
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0207 0.0165 0.0163
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0245
Plasmodium falciparum thioredoxin reductase 0.0028 0.0007 0.0005
Echinococcus granulosus Niemann Pick C1 protein 0.0134 0.0101 0.0099
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.026 0.0212 0.0846
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.004 0.0017 0.0061
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0055 0.0031 0.0029
Trypanosoma brucei thymidine kinase 0.025 0.0204 0.0301
Brugia malayi Integrin beta pat-3 precursor 0.0378 0.0318 0.0318
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.026 0.0212 0.0317
Trichomonas vaginalis mercuric reductase, putative 0.0028 0.0007 0.0205
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0049 0.0025 0.0094
Mycobacterium tuberculosis Probable dehydrogenase 0.0185 0.0146 0.0581
Echinococcus granulosus sodium and chloride dependent glycine 0.0207 0.0165 0.0163
Loa Loa (eye worm) hypothetical protein 0.0094 0.0065 0.0063
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0183
Plasmodium vivax thioredoxin reductase, putative 0.0081 0.0054 0.0104
Echinococcus granulosus integrin alpha ps 0.004 0.0017 0.0015
Echinococcus granulosus geminin 0.0184 0.0146 0.0144
Echinococcus multilocularis sodium and chloride dependent glycine 0.0207 0.0165 0.0163
Entamoeba histolytica thymidine kinase, putative 0.025 0.0204 0.1832
Loa Loa (eye worm) hypothetical protein 0.4791 0.4238 0.4237
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Echinococcus multilocularis lysine specific demethylase 5A 0.0056 0.0032 0.003
Echinococcus multilocularis integrin alpha ps 0.004 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0144 0.011 0.0108
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.026 0.0212 0.0508
Echinococcus granulosus thioredoxin glutathione reductase 0.0082 0.0054 0.0052
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0075 0.0048 0.0092
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1005 0.0874 0.3506
Loa Loa (eye worm) hypothetical protein 0.0102 0.0072 0.007
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.1931
Echinococcus granulosus nmda type glutamate receptor 0.0055 0.0031 0.0029
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0207 0.0165 0.0163
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.026 0.0212 0.0913
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.026 0.0212 0.0846
Schistosoma mansoni aldehyde dehydrogenase 0.0058 0.0033 0.0031
Treponema pallidum pyruvate carboxylase subunit B 0.026 0.0212 0.9236
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.026 0.0212 0.0508
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.026 0.0212 0.0846
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.026 0.0212 0.0508
Loa Loa (eye worm) integrin beta-2 0.0378 0.0318 0.0316
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.026 0.0212 0.021
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2824 0.249 0.3785
Echinococcus multilocularis bifunctional protein NCOAT 1.1277 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1005 0.0874 0.0872
Brugia malayi glutathione reductase 0.0081 0.0054 0.0054
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0028 0.0007 0.0004
Loa Loa (eye worm) hypothetical protein 0.026 0.0212 0.0211
Echinococcus multilocularis integrin alpha ps 0.0083 0.0055 0.0053
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0207 0.0165 0.0163
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1366 0.1195 0.1193
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 1.1277 1 1
Onchocerca volvulus 0.0207 0.0165 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1005 0.0874 0.3506
Loa Loa (eye worm) solute carrier family 6 member 4 0.0207 0.0165 0.0164
Brugia malayi Probable ClpP-like protease 0.0075 0.0048 0.0048
Echinococcus granulosus Protein patched homolog 1 0.004 0.0017 0.0015
Toxoplasma gondii hypothetical protein 0.0207 0.0165 0.0245
Schistosoma mansoni sodium-dependent amino acid transporter 0.0207 0.0165 0.0163
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1005 0.0874 0.3506
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0049 0.0025 0.0094
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2824 0.249 0.2489
Echinococcus granulosus expressed conserved protein 0.0088 0.006 0.0058
Schistosoma mansoni hypothetical protein 0.0039 0.0016 0.0014
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0207 0.0165 0.0704
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0207 0.0165 0.0163
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0003 0.0001
Mycobacterium tuberculosis Probable oxidoreductase 0.0206 0.0165 0.0655
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0638 0.0549 0.1337
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0095 0.0066 0.0064
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.004 0.0017 0.0046
Loa Loa (eye worm) hypothetical protein 0.0057 0.0033 0.0031
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.026 0.0212 0.021
Schistosoma mansoni jumonji/arid domain-containing protein 0.0056 0.0032 0.0029
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1366 0.1195 0.1193
Echinococcus multilocularis Niemann Pick C1 protein 0.0094 0.0065 0.0063
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.026 0.0212 0.0913
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.026 0.0212 0.0508
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.026 0.0212 0.0913
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0136 0.0103 0.0406
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1005 0.0874 0.0872
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0165
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1005 0.0874 0.3506
Schistosoma mansoni hypothetical protein 0.0039 0.0016 0.0014
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0207 0.0165 0.0163
Chlamydia trachomatis glutamine binding protein 0.004 0.0017 0.0046
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0028 0.0007 0.0005
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0207 0.0165 0.0163
Chlamydia trachomatis biotin carboxylase 0.2564 0.226 1
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.026 0.0212 0.0212
Echinococcus multilocularis sterol regulatory element binding protein 0.004 0.0017 0.0015
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2824 0.249 1
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.026 0.0212 0.0846
Onchocerca volvulus 0.0207 0.0165 1
Loa Loa (eye worm) hyaluronidase 1.1277 1 1
Echinococcus granulosus integrin alpha ps 0.0083 0.0055 0.0053
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0049 0.0025 0.0094
Plasmodium falciparum transporter, putative 0.0207 0.0165 0.0339
Plasmodium falciparum glutathione reductase 0.0028 0.0007 0.0005
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.026 0.0212 0.0508
Trypanosoma cruzi trypanothione reductase, putative 0.0081 0.0054 0.0116
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0028 0.0007 0.0003
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.7414 0.6568 1
Schistosoma mansoni integrin beta subunit 0.0223 0.018 0.0177
Schistosoma mansoni Hyaluronidase 1.1277 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1005 0.0874 0.3493
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.026 0.0212 0.0438
Loa Loa (eye worm) jmjC domain-containing protein 0.0056 0.0032 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0024 0.0022
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0185 0.0146 0.0581
Loa Loa (eye worm) hypothetical protein 0.1366 0.1195 0.1193
Trichomonas vaginalis thymidine kinase, putative 0.025 0.0204 0.8873
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2824 0.249 0.6129
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2824 0.249 0.379
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Echinococcus multilocularis protein patched 0.004 0.0017 0.0015
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1005 0.0874 0.3506
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0638 0.0549 0.1337
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1005 0.0874 0.1322
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0638 0.0549 0.1147
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.026 0.0212 0.0828
Giardia lamblia Deoxynucleoside kinase 0.038 0.0319 0.2842
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.026 0.0212 0.0438
Echinococcus granulosus sterol regulatory element binding protein 0.004 0.0017 0.0015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0185 0.0146 0.0581
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2824 0.249 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0207 0.0165 0.0163
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0028 0.0007 0.002
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.026 0.0212 0.021
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0207 0.0165 0.0163
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1005 0.0874 0.3506
Onchocerca volvulus 0.0144 0.011 0.6605
Echinococcus multilocularis integrin alpha 3 0.0142 0.0107 0.0105
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.004 0.0017 0.0553
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0206 0.0165 0.0655
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.026 0.0212 0.0828
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0075 0.0048 0.0066
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.1366 0.1195 0.1193
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7154 0.6337 0.6337
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.004 0.0017 0.0061
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0028 0.0007 0.0005
Plasmodium vivax hypothetical protein, conserved 0.0207 0.0165 0.0339
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0028 0.0007 0.002
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0245
Giardia lamblia Thymidine kinase 0.025 0.0204 0.1796
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1005 0.0874 0.2141
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2824 0.249 0.2489
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0207 0.0165 0.0163
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0028 0.0007 0.0005
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.026 0.0212 0.021
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.026 0.0212 0.0508
Trichomonas vaginalis thymidine kinase, putative 0.025 0.0204 0.8873
Brugia malayi jmjC domain containing protein 0.0056 0.0032 0.0032
Toxoplasma gondii carbamoylphosphate synthetase 0.0638 0.0549 0.0829
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.026 0.0212 0.0913
Echinococcus multilocularis nmda type glutamate receptor 0.0055 0.0031 0.0029
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.026 0.0212 0.0846
Echinococcus multilocularis integrin alpha ps 0.0083 0.0055 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0279 0.023 1
Trichomonas vaginalis thymidine kinase, putative 0.025 0.0204 0.8873
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0017 0.0681
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0136 0.0103 0.0406
Trypanosoma cruzi thymidine kinase, putative 0.025 0.0204 0.0487
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0638 0.0549 0.0546
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.1366 0.1195 0.1193
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0004 0.0011
Treponema pallidum sodium- and chloride- dependent transporter 0.0207 0.0165 0.7148
Echinococcus multilocularis sodium and chloride dependent glycine 0.0207 0.0165 0.0163
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.026 0.0212 0.0313
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Loa Loa (eye worm) hypothetical protein 0.026 0.0212 0.0211
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0048 0.0183
Schistosoma mansoni jumonji domain containing protein 0.0056 0.0032 0.0029
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1005 0.0874 0.1329
Echinococcus granulosus bifunctional protein NCOAT 1.1277 1 1
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.026 0.0212 0.0438
Brugia malayi Thioredoxin reductase 0.0081 0.0054 0.0054
Loa Loa (eye worm) glutathione reductase 0.0081 0.0054 0.0052
Brugia malayi hypothetical protein 0.0207 0.0165 0.0165
Schistosoma mansoni aldehyde dehydrogenase 0.0058 0.0033 0.0031
Brugia malayi Integrin alpha cytoplasmic region family protein 0.014 0.0106 0.0106
Trichomonas vaginalis glutathione reductase, putative 0.0028 0.0007 0.0205
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0207 0.0165 0.0245
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1005 0.0874 0.3506
Schistosoma mansoni hypothetical protein 0.0039 0.0016 0.0014
Loa Loa (eye worm) hypothetical protein 0.0207 0.0165 0.0164
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0638 0.0549 0.2182
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0028 0.0007 0.0005
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1005 0.0874 0.1325
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0002 0.0002
Plasmodium vivax amine transporter, putative 0.0207 0.0165 0.0339
Brugia malayi hypothetical protein 0.0144 0.011 0.011
Echinococcus multilocularis thioredoxin glutathione reductase 0.0082 0.0054 0.0052
Treponema pallidum fructose-bisphosphate aldolase 0.0279 0.023 1
Echinococcus multilocularis geminin 0.0184 0.0146 0.0144
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0774 0.0669 0.0668
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5365 0.4748 1
Schistosoma mansoni hypothetical protein 0.0056 0.0032 0.0029
Brugia malayi CHE-14 protein 0.004 0.0017 0.0017
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0638 0.0549 0.2198
Mycobacterium ulcerans pyruvate carboxylase 0.2824 0.249 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0094 0.0065 0.0575
Giardia lamblia Fructose-bisphosphate aldolase 0.0279 0.023 0.203
Schistosoma mansoni integrin alpha-ps 0.0043 0.002 0.0017
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0056 0.0032 0.003
Brugia malayi Niemann-Pick C1 protein precursor 0.0094 0.0065 0.0065
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2824 0.249 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5100 nM Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates ChEMBL. 9873696
IC50 (functional) = 5100 nM Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates ChEMBL. 9873696
Ki (binding) = 20 nM Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor ChEMBL. 9873696
Ki (binding) = 20 nM Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor ChEMBL. 9873696

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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