Detailed information for compound 252338

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.306 | Formula: C17H14N2O
  • H donors: 2 H acceptors: 1 LogP: 3.02 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCc2c3c1cccc3[nH]c2c1ccccc1
  • InChi: 1S/C17H14N2O/c20-17-13-7-4-8-14-15(13)12(9-10-18-17)16(19-14)11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,18,20)
  • InChiKey: CMVVSYUUFABRBC-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 poly (ADP-ribose) polymerase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Neospora caninum hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei poly(adp-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) poly(ADP-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (adp ribose) polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly ADP ribose polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2-A, putative Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly adp ribose polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei gambiense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
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
Trypanosoma cruzi cysteine peptidase, putative 0.097 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.002 0.002
Brugia malayi cathepsin B-like cysteine proteinase 0.0317 0.3186 0.3172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0502 0.5117 0.5107
Brugia malayi hypothetical protein 0.0016 0.005 0.003
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0224 0.222 0.2193
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0182 0.1788 0.1671
Giardia lamblia Cathepsin B precursor 0.0224 0.222 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Brugia malayi intermediate filament protein 0.0027 0.0163 0.0143
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0082 0.0746 0.0746
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Brugia malayi fibroinase precursor 0.0182 0.1788 0.1771
Loa Loa (eye worm) hypothetical protein 0.0101 0.0936 0.0923
Loa Loa (eye worm) hypothetical protein 0.097 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0253 0.0219
Onchocerca volvulus 0.0027 0.0163 0.0143
Leishmania major cathepsin L-like protease 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0098 0.0098
Echinococcus granulosus calpain A 0.002 0.0098 0.0098
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.3186 0.3186
Echinococcus granulosus poly adp ribose polymerase 2 0.0095 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0651 0.6671 0.6666
Plasmodium falciparum serine repeat antigen 4 0.0182 0.1788 0.1671
Schistosoma mansoni calpain C (C02 family) 0.002 0.0098 0.0098
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.018 0.1766 0.1649
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0253 0.0239
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0182 0.1788 0.1788
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0023 0.0122 0.0088
Echinococcus multilocularis lamin 0.0027 0.0163 0.0163
Echinococcus multilocularis calpain 0.002 0.0098 0.0098
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0101 0.0936 0.0918
Loa Loa (eye worm) cysteine protease 0.097 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1788 0.1771
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Brugia malayi Cathepsin L-like precursor 0.0651 0.6671 0.6664
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Plasmodium vivax vivapain-3 0.0502 0.5117 0.5069
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0056 0.0474 0.0474
Plasmodium vivax serine-repeat antigen (SERA) 0.0182 0.1788 0.1706
Loa Loa (eye worm) hypothetical protein 0.0048 0.0385 0.0371
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.1788 0.1788
Plasmodium falciparum serine repeat antigen 2 0.0182 0.1788 0.1671
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Leishmania major cathepsin L-like protease 0.097 1 1
Leishmania major hypothetical protein, conserved 0.0024 0.014 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0253 0.0233
Trypanosoma cruzi cysteine peptidase, putative 0.0502 0.5117 0.51
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0101 0.0936 0.0936
Brugia malayi Papain family cysteine protease containing protein 0.0182 0.1788 0.1771
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0068 0.0599 0.0585
Entamoeba histolytica cysteine proteinase, putative 0.0651 0.6671 0.6664
Giardia lamblia Cathepsin B precursor 0.0224 0.222 1
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Loa Loa (eye worm) hypothetical protein 0.0132 0.1263 0.1251
Entamoeba histolytica protein kinase, putative 0.0014 0.0035 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1788 0.1771
Onchocerca volvulus Cathepsin L homolog 0.097 1 1
Brugia malayi Cathepsin L-like precursor 0.097 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0182 0.1788 0.1776
Trypanosoma cruzi cysteine proteinase, putative 0.0502 0.5117 0.51
Onchocerca volvulus Cathepsin F homolog 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0182 0.1788 0.1771
Onchocerca volvulus 0.097 1 1
Echinococcus granulosus calpain A 0.0056 0.0474 0.0474
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0576 0.0442
Echinococcus granulosus lamin dm0 0.0027 0.0163 0.0163
Trypanosoma cruzi cruzipain precursor, putative 0.0319 0.3215 0.3192
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0182 0.1788 0.1776
Echinococcus multilocularis cathepsin L cysteine protease 0.097 1 1
Entamoeba histolytica cysteine proteinase, putative 0.097 1 1
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0098 0.0098
Echinococcus multilocularis cathepsin L cysteine protease 0.097 1 1
Toxoplasma gondii cathepsin CPC1 0.0182 0.1788 0.1671
Loa Loa (eye worm) hypothetical protein 0.0319 0.3215 0.3205
Trypanosoma brucei antigen, putative 0.002 0.0098 0.0064
Echinococcus granulosus intermediate filament protein 0.0027 0.0163 0.0163
Echinococcus multilocularis hypothetical protein 0.002 0.0098 0.0098
Brugia malayi Papain family cysteine protease containing protein 0.0502 0.5117 0.5107
Trypanosoma cruzi cysteine peptidase, putative 0.0319 0.3215 0.3192
Echinococcus multilocularis cathepsin L 0.0182 0.1788 0.1788
Loa Loa (eye worm) calpain 5 0.0014 0.0035 0.002
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0174 0.1696 0.1696
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0651 0.6671 0.6664
Entamoeba histolytica cysteine proteinase, putative 0.0502 0.5117 0.5107
Onchocerca volvulus Cathepsin L homolog 0.097 1 1
Echinococcus granulosus WGR domain containing protein 0.0054 0.0448 0.0448
Mycobacterium ulcerans lipase LipD 0.0035 0.0253 0.5
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0101 0.0936 0.0936
Echinococcus multilocularis cathepsin l cysteine peptidase 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Entamoeba histolytica cysteine proteinase, putative 0.0502 0.5117 0.5107
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Toxoplasma gondii preprocathepsin c precursor, putative 0.0182 0.1788 0.1671
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Entamoeba histolytica cysteine proteinase, putative 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Leishmania major cathepsin L-like protease 0.097 1 1
Echinococcus granulosus cpg binding protein 0.0037 0.0271 0.0271
Leishmania major cathepsin L-like protease 0.097 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.1788 0.1788
Mycobacterium ulcerans hypothetical protein 0.0035 0.0253 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Echinococcus multilocularis cysteine protease 0.097 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0502 0.5117 0.5107
Schistosoma mansoni cathepsin F (C01 family) 0.0651 0.6671 0.6671
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Leishmania major hypothetical protein, conserved 0.0023 0.0122 0.0088
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0182 0.1788 0.1706
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.097 1 1
Echinococcus granulosus cathepsin b 0.0317 0.3186 0.3186
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0253 0.0233
Echinococcus granulosus cathepsin b 0.0317 0.3186 0.3186
Echinococcus multilocularis poly (ADP ribose) polymerase 0.004 0.0301 0.0301
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Brugia malayi Cathepsin L-like precursor 0.097 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0317 0.3186 0.3162
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0034 0.002
Echinococcus granulosus lamin 0.0027 0.0163 0.0163
Echinococcus multilocularis microtubule associated protein 2 0.0839 0.8636 0.8636
Echinococcus granulosus calpain 0.002 0.0098 0.0098
Plasmodium vivax unspecified product 0.0319 0.3215 0.3148
Trypanosoma brucei cysteine peptidase C (CPC) 0.0224 0.222 0.2193
Echinococcus granulosus poly ADP ribose polymerase 1 0.0174 0.1696 0.1696
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.2231 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0163 0.0149
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0224 0.222 0.222
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0182 0.1788 0.1771
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0182 0.1788 0.1706
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0253 0.0219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0095 0.088 0.088
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Trypanosoma brucei DNA repair protein, putative 0.0023 0.0122 0.0088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.8151 0.8151
Brugia malayi Papain family cysteine protease containing protein 0.0182 0.1788 0.1771
Trypanosoma cruzi cysteine peptidase, putative 0.097 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0253 0.0233
Loa Loa (eye worm) fibroinase 0.097 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0182 0.1788 0.1759
Loa Loa (eye worm) ctsf protein 0.097 1 1
Echinococcus multilocularis calpain 5 0.002 0.0098 0.0098
Onchocerca volvulus 0.0182 0.1788 0.1771
Brugia malayi hypothetical protein 0.0024 0.014 0.012
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0174 0.1696 0.1696
Schistosoma mansoni tankyrase 0.0013 0.002 0.002
Brugia malayi calpain family protein 1 0.0054 0.0449 0.0429
Onchocerca volvulus 0.097 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0253 0.0253
Brugia malayi calpain family protein 1 0.0054 0.0449 0.0429
Plasmodium falciparum cysteine proteinase falcipain 1 0.0502 0.5117 0.5048
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0167 0.0167
Brugia malayi Cathepsin L-like precursor 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0449 0.0435
Plasmodium falciparum cysteine proteinase falcipain 2b 0.097 1 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.3186 0.3186
Echinococcus multilocularis lamin dm0 0.0027 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0319 0.3215 0.3205
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.1788 0.1788
Plasmodium falciparum serine repeat antigen 6 0.0182 0.1788 0.1671
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0502 0.5117 0.5117
Loa Loa (eye worm) hypothetical protein 0.0034 0.0237 0.0222
Leishmania major cysteine peptidase A (CPA) 0.097 1 1
Echinococcus multilocularis cathepsin b 0.0317 0.3186 0.3186
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0182 0.1788 0.1771
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Plasmodium falciparum serine repeat antigen 3 0.0182 0.1788 0.1671
Brugia malayi Papain family cysteine protease containing protein 0.0502 0.5117 0.5107
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0023 0.0122 0.0088
Loa Loa (eye worm) hypothetical protein 0.004 0.03 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0651 0.6671 0.6664
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Loa Loa (eye worm) apoptosis regulator protein 0.0101 0.0936 0.0923
Echinococcus granulosus microtubule associated protein 2 0.0839 0.8636 0.8636
Trypanosoma cruzi cysteine peptidase, putative 0.097 1 1
Leishmania major DNA repair protein, putative 0.0023 0.0122 0.0088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Schistosoma mansoni cathepsin F (C01 family) 0.097 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0502 0.5117 0.51
Brugia malayi cathepsin Z-like cysteine proteinase 0.0182 0.1788 0.1771
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0253 0.0233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Schistosoma mansoni cathepsin s 0.0319 0.3215 0.3215
Brugia malayi WGR domain containing protein 0.0174 0.1696 0.1679
Schistosoma mansoni cpg binding protein 0.0037 0.0271 0.0271
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.097 1 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.0098 0.0064
Schistosoma mansoni lamin 0.0027 0.0163 0.0163
Schistosoma mansoni cathepsin C 0.0182 0.1788 0.1788
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Toxoplasma gondii cathepsin CPL 0.097 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.014 0.0106
Echinococcus granulosus calpain 5 0.002 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Loa Loa (eye worm) hypothetical protein 0.0027 0.0163 0.0149
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0317 0.3186 0.3186
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0182 0.1788 0.1671
Loa Loa (eye worm) cathepsin B 0.0224 0.222 0.2209
Entamoeba histolytica cysteine protease, putative 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0651 0.6671 0.6666
Entamoeba histolytica calpain large subunit domain III containing protein 0.0014 0.0035 0.0014
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0502 0.5117 0.5117
Entamoeba histolytica cysteine proteinase 2 0.0502 0.5117 0.5107
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0253 0.0233
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0253 0.0233
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0182 0.1788 0.1788
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0253 0.5
Brugia malayi cathepsin L-like cysteine proteinase 0.0182 0.1788 0.1771
Echinococcus granulosus cathepsin L 0.0502 0.5117 0.5117
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0182 0.1788 0.1771
Loa Loa (eye worm) tnks protein 0.0013 0.002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Onchocerca volvulus 0.097 1 1
Brugia malayi beta-lactamase family protein 0.0035 0.0253 0.0233
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0182 0.1788 0.1788
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Onchocerca volvulus 0.0035 0.0253 0.0233
Loa Loa (eye worm) beta-lactamase 0.0035 0.0253 0.0239
Brugia malayi cathepsin F-like cysteine proteinase 0.0319 0.3215 0.3202
Giardia lamblia Cathepsin B precursor 0.0224 0.222 1
Onchocerca volvulus 0.097 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.097 1 1
Onchocerca volvulus 0.0027 0.0163 0.0143
Plasmodium falciparum cysteine proteinase falcipain 2a 0.097 1 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0182 0.1788 0.1771
Loa Loa (eye worm) hypothetical protein 0.0023 0.0122 0.0108
Entamoeba histolytica hypothetical protein 0.0027 0.0167 0.0147
Loa Loa (eye worm) hypothetical protein 0.0319 0.3215 0.3205
Onchocerca volvulus 0.097 1 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0271 0.0271
Brugia malayi cathepsin L precursor 0.0182 0.1788 0.1771
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0101 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Onchocerca volvulus 0.0035 0.025 0.023
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0005
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0651 0.6671 0.6659
Brugia malayi cathepsin Z-like cysteine proteinase 0.0182 0.1788 0.1771
Schistosoma mansoni apoptosis regulator bax 0.0101 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0659 0.0659
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Plasmodium falciparum serine repeat antigen 8 0.0182 0.1788 0.1671
Echinococcus granulosus cathepsin l1 0.097 1 1
Trypanosoma cruzi cysteine protease, putative 0.0502 0.5117 0.51
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Plasmodium vivax vivapain-1 0.0502 0.5117 0.5069
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0182 0.1788 0.1776
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0253 0.0219
Brugia malayi calpain 5 0.0014 0.0035 0.0014
Onchocerca volvulus Cathepsin L homolog 0.0182 0.1788 0.1771
Plasmodium vivax unspecified product 0.0502 0.5117 0.5069
Echinococcus multilocularis cathepsin L 0.0502 0.5117 0.5117
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0474 0.0474
Brugia malayi beta-lactamase 0.0035 0.0253 0.0233
Onchocerca volvulus 0.0034 0.0237 0.0217
Toxoplasma gondii cathepsin CPC2 0.0182 0.1788 0.1671
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0182 0.1788 0.1671
Echinococcus multilocularis calpain A 0.0056 0.0474 0.0474
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0182 0.1788 0.1706
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0474 0.0474
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0319 0.3215 0.3205
Toxoplasma gondii cathepsin B 0.0224 0.222 0.211
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0182 0.1788 0.1706
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0253 0.0253
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0253 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.088 0.0849
Schistosoma mansoni cpg binding protein 0.0037 0.0271 0.0271
Trypanosoma cruzi DNA repair protein, putative 0.0023 0.0122 0.0088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0502 0.5117 0.51
Echinococcus multilocularis musashi 0.0027 0.0163 0.0163
Plasmodium falciparum cysteine proteinase falcipain 3 0.097 1 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0182 0.1788 0.1706
Entamoeba histolytica cysteine proteinase, putative 0.0502 0.5117 0.5107
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.014 0.0106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Plasmodium falciparum serine repeat antigen 9 0.0182 0.1788 0.1671
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0253 0.0253
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0182 0.1788 0.1771
Plasmodium vivax vivapain-2 0.097 1 1
Echinococcus granulosus cysteine protease 0.0502 0.5117 0.5117
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.025 0.0236
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0095 0.088 0.088
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0182 0.1788 0.1706
Brugia malayi Cathepsin L-like cysteine proteinase 0.0651 0.6671 0.6664
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0054 0.0449 0.0449
Mycobacterium ulcerans beta-lactamase 0.0035 0.0253 0.5
Echinococcus granulosus cathepsin L 0.0182 0.1788 0.1788
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Brugia malayi Cathepsin L-like precursor 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Brugia malayi CXXC zinc finger family protein 0.0035 0.025 0.023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Echinococcus multilocularis tankyrase 0.0013 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0317 0.3186 0.3186
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0182 0.1788 0.1771
Brugia malayi Papain family cysteine protease containing protein 0.0182 0.1788 0.1771
Plasmodium falciparum serine repeat antigen 5 0.0182 0.1788 0.1671
Onchocerca volvulus 0.0035 0.0253 0.0233
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0098 0.0098
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0502 0.5117 0.51
Brugia malayi cathepsin F-like cysteine proteinase 0.0182 0.1788 0.1771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.088 0.0867
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Schistosoma mansoni intermediate filament proteins 0.0027 0.0163 0.0163
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.1788 0.1771
Onchocerca volvulus 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0182 0.1788 0.1771
Brugia malayi Cathepsin L-like precursor 0.0319 0.3215 0.3202
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0182 0.1788 0.1771
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0319 0.3215 0.3202
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0101 0.0936 0.0936
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0182 0.1788 0.1706
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0651 0.6671 0.6666
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Brugia malayi beta-lactamase family protein 0.0035 0.0253 0.0233
Trypanosoma brucei calpain-like protein, putative 0.002 0.0098 0.0064
Schistosoma mansoni cathepsin B (C01 family) 0.0182 0.1788 0.1788
Onchocerca volvulus 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.3186 0.3176
Plasmodium vivax unspecified product 0.0182 0.1788 0.1706
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0167 0.0167
Trypanosoma cruzi cysteine peptidase, putative 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.097 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.014 0.0106
Trypanosoma cruzi major cysteine proteinase, putative 0.0182 0.1788 0.1759
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.1788 0.1788
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0182 0.1788 0.1706
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0182 0.1788 0.1706
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0163 0.0149
Brugia malayi Cathepsin L-like precursor 0.0651 0.6671 0.6664
Leishmania major cathepsin L-like protease 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Echinococcus multilocularis cysteine protease 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0253 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0253 0.0115
Echinococcus granulosus cathepsin L cysteine protease 0.0502 0.5117 0.5117
Schistosoma mansoni cathepsin S (C01 family) 0.0182 0.1788 0.1788
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0182 0.1788 0.1771
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0224 0.222 0.2204
Brugia malayi WGR domain containing protein 0.0095 0.088 0.0862
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0098 0.0098
Schistosoma mansoni hypothetical protein 0.0101 0.0936 0.0936
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0182 0.1788 0.1771
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.0474 0.0474
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0098 0.0064
Schistosoma mansoni microtubule-associated protein tau 0.0839 0.8636 0.8636
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Echinococcus granulosus dnaJ subfamily B 0.0497 0.5072 0.5072
Schistosoma mansoni hypothetical protein 0.0497 0.5072 0.5072
Loa Loa (eye worm) calpain family protein 1 0.004 0.03 0.0286
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.1788 0.1788
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0253 0.5
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Plasmodium falciparum serine repeat antigen 1 0.0182 0.1788 0.1671
Schistosoma mansoni calpain (C02 family) 0.002 0.0098 0.0098
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0502 0.5117 0.51
Echinococcus granulosus poly (ADP ribose) polymerase 0.0054 0.0448 0.0448
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0182 0.1788 0.1771
Echinococcus granulosus cathepsin l1 0.0651 0.6671 0.6671
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Onchocerca volvulus 0.0651 0.6671 0.6664
Leishmania major hypothetical protein, conserved 0.0035 0.0253 0.0219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Echinococcus multilocularis cathepsin b 0.0317 0.3186 0.3186
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0098 0.0064
Trypanosoma brucei calpain-like protein, putative 0.002 0.0098 0.0064
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0502 0.5117 0.5117
Leishmania major cathepsin L-like protease 0.097 1 1
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0174 0.1696 0.1679
Brugia malayi calpain 7 0.002 0.0098 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Entamoeba histolytica hypothetical protein 0.0182 0.1788 0.1771
Brugia malayi Papain family cysteine protease containing protein 0.097 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Loa Loa (eye worm) calpain 0.002 0.0098 0.0084
Echinococcus granulosus calpain 7 C02 family 0.002 0.0098 0.0098
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0034 0.0014
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0253 0.0253
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.002 0.002
Schistosoma mansoni lamin 0.0027 0.0163 0.0163
Schistosoma mansoni cpg binding protein 0.0035 0.025 0.025
Trypanosoma brucei poly(adp-ribose) polymerase 0.0095 0.088 0.0849
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Leishmania major cathepsin L-like protease 0.097 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0182 0.1788 0.1788
Brugia malayi Cathepsin L-like precursor 0.097 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0253 0.0156
Leishmania major cathepsin L-like protease 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.014 0.0126
Trichomonas vaginalis esterase, putative 0.0035 0.0253 0.0233
Plasmodium vivax vivapain-2 0.097 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0224 0.222 0.2193
Entamoeba histolytica cysteine protease, putative 0.0502 0.5117 0.5107
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0182 0.1788 0.1771
Entamoeba histolytica cysteine protease, putative 0.0182 0.1788 0.1771
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.088 0.0849
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.014 0.0042
Echinococcus multilocularis dnaJ subfamily B 0.0497 0.5072 0.5072
Loa Loa (eye worm) hypothetical protein 0.0182 0.1788 0.1776
Plasmodium falciparum serine repeat antigen 7 0.0182 0.1788 0.1671
Plasmodium vivax serine-repeat antigen (SERA) 0.0182 0.1788 0.1706
Echinococcus multilocularis calpain family protein 1, d 0.004 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0026 0.0158 0.0143
Onchocerca volvulus 0.0035 0.0253 0.0233
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0182 0.1788 0.1706
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0167 0.0167
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.097 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0253 0.0239
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0163 0.0143
Onchocerca volvulus DNA ligase 3 homolog 0.0023 0.0122 0.0102
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0101 0.0936 0.0936
Schistosoma mansoni hypothetical protein 0.0101 0.0936 0.0936
Echinococcus granulosus tankyrase 0.0013 0.002 0.002
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.097 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.097 1 1
Loa Loa (eye worm) calpain family protein 1 0.0054 0.0449 0.0435
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0182 0.1788 0.1771
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.097 1 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.0098 0.0064
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0502 0.5117 0.5107
Schistosoma mansoni cathepsin F (C01 family) 0.097 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0098 0.0064
Entamoeba histolytica cysteine proteinase, putative 0.0502 0.5117 0.5107
Schistosoma mansoni hypothetical protein 0.0101 0.0936 0.0936
Brugia malayi cathepsin L-like precursor 0.0651 0.6671 0.6664

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6 nM Inhibition of human PARP-1 ChEMBL. 21413808
Ki (binding) = 0.006 uM In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). ChEMBL. 12408707
Ki (binding) = 0.006 uM In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). ChEMBL. 12408707
PF50 (functional) = 1.8 Cytotoxicity potentiation of Topotecan in human lung carcinoma A549 cells by the compound as potentiation factor at 50% growth inhibition ChEMBL. 12408707

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

2 literature references were collected for this gene.

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