Detailed information for compound 1137213

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.802 | Formula: C19H16ClN3O3
  • H donors: 2 H acceptors: 3 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1n[nH]c(c1)c1ccc(cc1)NC(=O)c1ccc(cc1)Cl
  • InChi: 1S/C19H16ClN3O3/c1-2-26-19(25)17-11-16(22-23-17)12-5-9-15(10-6-12)21-18(24)13-3-7-14(20)8-4-13/h3-11H,2H2,1H3,(H,21,24)(H,22,23)
  • InChiKey: NKJPDKGJXFCIHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0546 0.0693
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0422 0.0535
Trypanosoma brucei unspecified product 0.0028 0.0147 0.0205
Trypanosoma brucei unspecified product 0.004 0.0295 0.0414
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0027 0.0038
Brugia malayi RNA recognition motif domain containing protein 0.0322 0.3653 1
Echinococcus multilocularis geminin 0.034 0.3875 0.3873
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0422 0.0531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2013 0.2553
Schistosoma mansoni tar DNA-binding protein 0.0322 0.3653 0.4634
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0546 0.0689
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0027 0.0038
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.0801
Entamoeba histolytica hypothetical protein 0.0024 0.0106 0.2946
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0106 0.0814
Trichomonas vaginalis esterase, putative 0.0038 0.0273 0.0941
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.7884 0.7883
Echinococcus multilocularis dna polymerase eta 0.004 0.0295 0.0292
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0027 0.0038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0377 0.0374
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0377 0.0478
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0106 0.0149
Echinococcus granulosus microtubule associated protein 2 0.0676 0.7884 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Schistosoma mansoni bromodomain containing protein 0.0064 0.0577 0.0732
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0295 0.0066
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0027 0.0038
Loa Loa (eye worm) TAR-binding protein 0.0322 0.3653 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0273 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0422 0.0419
Loa Loa (eye worm) hypothetical protein 0.0039 0.0278 0.0752
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0021 0.0027
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0546 0.0543
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.7884 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0408 0.1109
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0147 0.0205
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0295 0.1027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0273 0.0346
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0027 0.0066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0893
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0273 0.0346
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0066 0.0092
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0295 0.0414
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0027 0.0038
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0295 0.0801
Schistosoma mansoni hypothetical protein 0.0021 0.0064 0.0081
Schistosoma mansoni tar DNA-binding protein 0.0322 0.3653 0.4634
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0087 0.0107
Echinococcus multilocularis zinc finger protein 0.002 0.0051 0.0048
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0106 0.0282
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0027 0.0038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0546 0.0804
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0273 0.0342
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0027 0.0024
Brugia malayi beta-lactamase family protein 0.0038 0.0273 0.0739
Loa Loa (eye worm) RNA binding protein 0.0322 0.3653 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.029 0.3282 0.4597
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0106 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0106 0.0302
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0295 0.0375
Mycobacterium tuberculosis Conserved hypothetical protein 0.0323 0.3674 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2013 0.2553
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0273 0.0383
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0172 0.0168
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0534 0.0531
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0105 0.1071 0.15
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0159 0.0197
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0295 0.0414
Toxoplasma gondii ABC1 family protein 0.0038 0.0273 0.2534
Trichomonas vaginalis set domain proteins, putative 0.0237 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0377 0.1023
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0295 0.0066
Loa Loa (eye worm) hypothetical protein 0.0058 0.0505 0.1376
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0505 0.1376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0172 0.0218
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0171
Brugia malayi TAR-binding protein 0.0322 0.3653 1
Schistosoma mansoni hypothetical protein 0.034 0.3875 0.4915
Echinococcus granulosus zinc finger protein 0.002 0.0051 0.0061
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0004
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0027 0.0038
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0028 0.0039
Brugia malayi PHD-finger family protein 0.0025 0.0116 0.0308
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0546 0.0765
Brugia malayi mbt repeat family protein 0.0051 0.0422 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0322 0.3653 0.4634
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0248 0.0245
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0273 0.027
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0273 0.0941
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0295 0.0292
Onchocerca volvulus 0.0051 0.0422 0.1013
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0422 0.0535
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0295 0.0066
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2296 0.6281
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0027 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0546 0.0693
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Loa Loa (eye worm) hypothetical protein 0.0051 0.0422 0.1146
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0273 0.0383
Leishmania major hypothetical protein, conserved 0.0038 0.0273 0.0383
Schistosoma mansoni hypothetical protein 0.0034 0.0221 0.028
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0106 0.0131
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0027 0.0066
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0004
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0273 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0377 0.0478
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.2737 0.7245
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0248 0.0311
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0028 0.0069
Onchocerca volvulus 0.0038 0.0273 0.0411
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0087 0.0111
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0027 0.0038
Leishmania major mitochondrial DNA polymerase beta 0.0614 0.714 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0273 0.0941
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0027 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2013 0.2553
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0295 0.0414
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0295 0.0414
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0027 0.0035
Mycobacterium ulcerans hypothetical protein 0.0323 0.3674 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0027 0.0035
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0086 0.0846 0.1185
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0422 0.0531
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0295 0.0375
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0295 0.1027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0408 0.1109
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0295 0.0414
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.2013 0.5506
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0377 0.0474
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0087 0.0084
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0027 0.0038
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0027 0.0024
Loa Loa (eye worm) hypothetical protein 0.0034 0.0221 0.0595
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0295 0.0414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2013 0.255
Onchocerca volvulus 0.0038 0.0273 0.0411
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0021 0.0027
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.2013 0.5506
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0064 0.0167
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0295 0.0801
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0027 0.0038
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0027 0.0038
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0614 0.714 1
Loa Loa (eye worm) beta-lactamase 0.0038 0.0273 0.0739
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0422 0.0419
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0004
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0021 0.0023
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0086 0.0846 0.1185
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0614 0.714 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2013 0.255
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0408 0.1109
Schistosoma mansoni DNA polymerase eta 0.004 0.0295 0.0375
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0027 0.0038
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.029 0.3282 0.4597
Loa Loa (eye worm) MBCTL1 0.0058 0.0505 0.1376
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0295 0.0414
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Schistosoma mansoni zinc finger protein 0.002 0.0051 0.0065
Schistosoma mansoni hypothetical protein 0.0309 0.3498 0.4437
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0546 0.0804
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0295 0.0371
Echinococcus multilocularis tar DNA binding protein 0.0322 0.3653 0.3651
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0273 0.0383
Brugia malayi mbt repeat family protein 0.0051 0.0422 0.1146
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0295 0.0801
Loa Loa (eye worm) hypothetical protein 0.0071 0.0667 0.1818
Brugia malayi beta-lactamase 0.0038 0.0273 0.0739
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0004
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0422 0.0535
Schistosoma mansoni tar DNA-binding protein 0.0322 0.3653 0.4634
Echinococcus granulosus dna polymerase kappa 0.004 0.0295 0.0371
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0027 0.0066
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0322 0.3653 1
Echinococcus multilocularis dna polymerase kappa 0.004 0.0295 0.0292
Brugia malayi Pre-SET motif family protein 0.0208 0.2296 0.6281
Brugia malayi beta-lactamase family protein 0.0038 0.0273 0.0739
Brugia malayi Bromodomain containing protein 0.0039 0.0277 0.0749
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0147 0.0205
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0027 0.0038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0546 0.0804
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0546 0.5353
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0295 0.0414
Giardia lamblia DINP protein human, muc B family 0.004 0.0295 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0273 0.0941
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.2203 0.22
Schistosoma mansoni hypothetical protein 0.034 0.3875 0.4915
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0273 0.0739
Trypanosoma brucei unspecified product 0.0028 0.0147 0.0205
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0106 0.0135
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0505 0.0637
Mycobacterium leprae Probable lipase LipE 0.0038 0.0273 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2013 0.201
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0027 0.0066
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0086 0.0846 0.1185
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0172 0.0218
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0221 0.0595
Echinococcus granulosus geminin 0.034 0.3875 0.4913
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0273 0.0739
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0147 0.0205
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0027 0.0031
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0614 0.714 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0505 0.0502
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0505 0.0637
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0505 0.0641
Onchocerca volvulus 0.0038 0.0273 0.0411
Onchocerca volvulus 0.0237 0.2638 1
Schistosoma mansoni tar DNA-binding protein 0.0322 0.3653 0.4634
Leishmania major DNA polymerase eta, putative 0.004 0.0295 0.0414
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.2203 0.2791
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0505 0.0502
Brugia malayi Pre-SET motif family protein 0.003 0.0172 0.0461
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0106 0.0149
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0027 0.0038
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0295 0.0414
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0295 0.0414
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0086 0.0846 0.1185
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.0739
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0021 0.0018
Brugia malayi RNA binding protein 0.0322 0.3653 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0408 0.1109
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0295 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.029 0.3282 0.4597
Leishmania major DNA polymerase kappa, putative 0.004 0.0295 0.0414
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0422 0.1013
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0273 0.0941
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0534 0.0674
Toxoplasma gondii hypothetical protein 0.0099 0.0997 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0295 0.0066
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0422 0.1146
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0028 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2013 0.201
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0295 0.0414
Brugia malayi Bromodomain containing protein 0.0076 0.0718 0.1959
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0273 0.0941
Loa Loa (eye worm) hypothetical protein 0.0041 0.0306 0.083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0546 0.0804
Echinococcus granulosus dna polymerase eta 0.004 0.0295 0.0371
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0172 0.1488
Echinococcus granulosus tar DNA binding protein 0.0322 0.3653 0.4632

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.31 umol/ml Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry ChEMBL. 21880490

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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