Detailed information for compound 1044157

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.331 | Formula: C21H21Cl2N5
  • H donors: 0 H acceptors: 3 LogP: 4.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1Cl)N(C(c1nncn1C)C(C)C)Cc1ccccc1Cl
  • InChi: 1S/C21H21Cl2N5/c1-14(2)20(21-26-25-13-27(21)3)28(12-16-6-4-5-7-18(16)22)17-9-8-15(11-24)19(23)10-17/h4-10,13-14,20H,12H2,1-3H3
  • InChiKey: BNFIULLBFOWELZ-UHFFFAOYSA-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 progesterone receptor Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Toxoplasma gondii cathepsin B 0.0017 0.0091 0.0091
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0313 0.0313
Echinococcus granulosus importin subunit beta 1 0.003 0.048 0.048
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.2258 0.2258
Onchocerca volvulus 0.0358 1 1
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Brugia malayi Cathepsin L-like precursor 0.003 0.0479 0.0479
Onchocerca volvulus 0.0358 1 1
Brugia malayi glutathione reductase 0.004 0.0754 0.0754
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0358 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.2258 0.2258
Echinococcus granulosus hypothetical protein 0.0358 1 1
Giardia lamblia Cysteine protease 0.0017 0.0091 0.0091
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0017 0.0091 0.0091
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.2526 0.2526
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0072 0.168 0.1604
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.2526 0.0378
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Echinococcus multilocularis tyrosine protein kinase shark 0.0226 0.6163 0.6163
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0754 0.0754
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Giardia lamblia Encystation-specific protease 0.0017 0.0091 0.0091
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0247 0.0247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0754 0.0754
Trypanosoma cruzi cysteine proteinase, putative 0.0047 0.0969 0.0969
Leishmania major trypanothione reductase 0.004 0.0754 0.0754
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Mycobacterium ulcerans hypothetical protein 0.0358 1 1
Onchocerca volvulus 0.0091 0.2258 0.2187
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.2258 0.2258
Echinococcus granulosus nmda type glutamate receptor 0.0027 0.0394 0.0394
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0247 0.0247
Plasmodium vivax vivapain-2 0.0091 0.2258 0.2258
Loa Loa (eye worm) oxidoreductase 0.0358 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.0174 0.4654 0.4654
Plasmodium vivax glutathione reductase, putative 0.004 0.0754 0.0754
Schistosoma mansoni importin beta-1 0.003 0.048 0.048
Plasmodium falciparum serine repeat antigen 6 0.0017 0.0091 0.0091
Echinococcus granulosus snurportin 1 0.0323 0.899 0.899
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Echinococcus granulosus voltage gated potassium channel subunit 0.0358 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0174 0.4654 0.4654
Entamoeba histolytica Ran family GTPase 0.0022 0.0247 0.0158
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0068 0.1574 0.1574
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Echinococcus granulosus aldo keto reductase 0.0358 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0313 0.0313
Echinococcus granulosus cathepsin L cysteine protease 0.0047 0.0969 0.0969
Loa Loa (eye worm) hypothetical protein 0.003 0.0479 0.0392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Mycobacterium tuberculosis Probable oxidoreductase 0.0358 1 1
Entamoeba histolytica hypothetical protein 0.0025 0.0313 0.0225
Trypanosoma brucei cysteine peptidase C (CPC) 0.0017 0.0091 0.0091
Loa Loa (eye worm) fibroinase 0.0091 0.2258 0.2187
Echinococcus multilocularis voltage gated potassium channel subunit 0.0358 1 1
Brugia malayi NADH-dependent xylose reductase 0.0358 1 1
Loa Loa (eye worm) cysteine protease 0.0091 0.2258 0.2187
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0247 0.0247
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.0969 0.0969
Brugia malayi Cathepsin L-like cysteine proteinase 0.0061 0.1379 0.1379
Brugia malayi Importin beta-1 subunit 0.003 0.048 0.048
Entamoeba histolytica cysteine proteinase, putative 0.0061 0.1379 0.13
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0091 0.0091
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0174 0.4654 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Brugia malayi cathepsin L-like precursor 0.0061 0.1379 0.1379
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0027 0.0394 0.0394
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0969 0.0887
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0017 0.0091 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.2232 0.2232
Loa Loa (eye worm) ctsf protein 0.0091 0.2258 0.2187
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0358 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0358 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.2258 0.2258
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0072 0.168 0.168
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.2258 0.2187
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Echinococcus granulosus aldo keto reductase 0.0358 1 1
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0247 0.0247
Trypanosoma brucei aldo/keto reductase, putative 0.0358 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0047 0.0969 0.0969
Trypanosoma cruzi cysteine proteinase, putative 0.0047 0.0969 0.0969
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Onchocerca volvulus 0.0358 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0047 0.0969 0.0969
Plasmodium falciparum serine repeat antigen 1 0.0017 0.0091 0.0091
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.0969 0.0969
Brugia malayi Zinc finger, C2H2 type family protein 0.0068 0.1574 0.1574
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0017 0.0091 0.0091
Toxoplasma gondii cathepsin CPL 0.0091 0.2258 0.2258
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Leishmania major prostaglandin f synthase, putative 0.0358 1 1
Leishmania major GTP-binding protein, putative 0.0022 0.0247 0.0247
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0247 0.0247
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Plasmodium vivax aldehyde reductase, putative 0.0358 1 1
Plasmodium vivax unspecified product 0.0047 0.0969 0.0969
Brugia malayi Papain family cysteine protease containing protein 0.0091 0.2258 0.2258
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0091 0.2258 0.2258
Giardia lamblia Hypothetical protein 0.0017 0.0091 0.0091
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0091 0.0091
Loa Loa (eye worm) glutathione reductase 0.004 0.0754 0.067
Echinococcus multilocularis cysteine protease 0.0091 0.2258 0.2258
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0969 0.0887
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0091 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0091 0.0091
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0769 0.0769
Loa Loa (eye worm) oxidoreductase 0.0358 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.0027 0.0394 0.0394
Leishmania major aldo-keto reductase-like protein 0.0358 1 1
Plasmodium falciparum importin beta, putative 0.003 0.048 0.048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0047 0.0969 0.0969
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0247 0.0247
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Schistosoma mansoni hypothetical protein 0.0323 0.899 0.899
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0017 0.0091 0.0091
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0068 0.1574 0.1574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Mycobacterium tuberculosis Conserved protein 0.0358 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0479 0.0392
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0174 0.4654 0.3118
Trypanosoma cruzi aldo/keto reductase, putative 0.0358 1 1
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Echinococcus granulosus aldo keto reductase 0.0358 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Entamoeba histolytica aldose reductase, putative 0.0358 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0017 0.0091 0.0091
Echinococcus multilocularis cathepsin b 0.0017 0.0091 0.0091
Plasmodium falciparum dihydroorotate dehydrogenase 0.0174 0.4654 0.4654
Schistosoma mansoni cathepsin C 0.0017 0.0091 0.0091
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0969 0.0887
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0017 0.0091 0.0091
Echinococcus multilocularis cysteine protease 0.0091 0.2258 0.2258
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Giardia lamblia Aldose reductase 0.0358 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0358 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0017 0.0091 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0017 0.0091 0.0091
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0247 0.0247
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0247 0.0247
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Schistosoma mansoni aldo-keto reductase 0.0358 1 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0313 0.0313
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0072 0.168 0.168
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0247 0.0247
Trichomonas vaginalis aldo/keto reductase, putative 0.0358 1 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.002 0.0171 0.0171
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Plasmodium falciparum serine repeat antigen 9 0.0017 0.0091 0.0091
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.2258 0.2258
Onchocerca volvulus 0.0091 0.2258 0.2187
Schistosoma mansoni cathepsin B (C01 family) 0.0017 0.0091 0.0091
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0091 0.2258 0.2187
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Plasmodium vivax vivapain-1 0.0047 0.0969 0.0969
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.048 0.048
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Entamoeba histolytica cysteine protease, putative 0.0091 0.2258 0.2187
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 0.0969 0.0969
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.1379 0.1379
Giardia lamblia Cysteine protease 0.0017 0.0091 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Leishmania major importin beta-1 subunit, putative 0.0025 0.0313 0.0313
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Brugia malayi fibroinase precursor 0.0017 0.0091 0.0091
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Brugia malayi cathepsin F-like cysteine proteinase 0.003 0.0479 0.0479
Plasmodium falciparum serine repeat antigen 5 0.0017 0.0091 0.0091
Plasmodium vivax vivapain-3 0.0047 0.0969 0.0969
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Toxoplasma gondii cathepsin CPC2 0.0017 0.0091 0.0091
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0358 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.003 0.0479 0.0479
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0358 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.2526 0.2526
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.2258 0.2258
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0174 0.4654 0.4654
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Echinococcus multilocularis aldo keto reductase 0.0358 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0017 0.0091 0.0091
Plasmodium falciparum aldehyde reductase, putative 0.0358 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.2232 0.2232
Loa Loa (eye worm) hypothetical protein 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Echinococcus granulosus tyrosine protein kinase shark 0.0226 0.6163 0.6163
Onchocerca volvulus 0.0091 0.2258 0.2187
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0091 0.0091
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0061 0.1379 0.13
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Echinococcus granulosus cathepsin b 0.0017 0.0091 0.0091
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0754 0.0754
Echinococcus multilocularis cathepsin L 0.0047 0.0969 0.0969
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Schistosoma mansoni aldo-keto reductase 0.0358 1 1
Trichomonas vaginalis ran, putative 0.0022 0.0247 0.0247
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Echinococcus granulosus cathepsin b 0.0017 0.0091 0.0091
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.2526 0.2526
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0017 0.0091 0.0091
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Onchocerca volvulus Cathepsin L homolog 0.0091 0.2258 0.2187
Echinococcus multilocularis snurportin 1 0.0323 0.899 0.899
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0017 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0061 0.1379 0.13
Loa Loa (eye worm) papain family cysteine protease containing protein 0.003 0.0479 0.0392
Brugia malayi Papain family cysteine protease containing protein 0.0047 0.0969 0.0969
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0072 0.168 0.168
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0017 0.0091 0.0091
Echinococcus granulosus cathepsin L 0.0017 0.0091 0.0091
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0091 0.0091
Plasmodium falciparum serine repeat antigen 3 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 1 1
Echinococcus multilocularis aldo keto reductase 0.0358 1 1
Brugia malayi cathepsin L precursor 0.0017 0.0091 0.0091
Leishmania major dihydroorotate dehydrogenase 0.0174 0.4654 0.4654
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0091
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0174 0.4654 0.4654
Toxoplasma gondii aldose reductase, putative 0.0358 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0072 0.168 0.168
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0769 0.0769
Schistosoma mansoni tyrosine kinase 0.0226 0.6163 0.6163
Loa Loa (eye worm) hypothetical protein 0.0061 0.1379 0.13
Trypanosoma cruzi cruzipain precursor, putative 0.0091 0.2258 0.2258
Echinococcus multilocularis aldo keto reductase 0.0358 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0479 0.0392
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0072 0.168 0.168
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.002 0.0171 0.0171
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Toxoplasma gondii cathepsin CPC1 0.0017 0.0091 0.0091
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0091
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0068 0.1574 0.1574
Entamoeba histolytica cysteine proteinase 2 0.0047 0.0969 0.0887
Loa Loa (eye worm) hypothetical protein 0.0091 0.2258 0.2187
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0754 0.0754
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.0969 0.0969
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0174 0.4654 0.4654
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0091 0.2258 0.2187
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Plasmodium vivax vivapain-2 0.0091 0.2258 0.2258
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0358 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0358 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.2258 0.2258
Giardia lamblia Aldose reductase 0.0358 1 1
Trypanosoma brucei trypanothione reductase 0.004 0.0754 0.0754
Trichomonas vaginalis aldo/keto reductase, putative 0.0358 1 1
Brugia malayi Thioredoxin reductase 0.004 0.0754 0.0754
Echinococcus multilocularis cathepsin L 0.0017 0.0091 0.0091
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.2232 0.2232
Toxoplasma gondii aldo-keto reductase 0.0358 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0091 0.0091
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0017 0.0091 0.0091
Brugia malayi cathepsin B-like cysteine proteinase 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0091 0.2258 0.2258
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0091 0.0091
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Echinococcus granulosus cathepsin l1 0.0061 0.1379 0.1379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0091 0.0091
Giardia lamblia Cathepsin B precursor 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 0.899 0.8981
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Onchocerca volvulus 0.0358 1 1
Plasmodium falciparum glutathione reductase 0.004 0.0754 0.0754
Entamoeba histolytica cysteine proteinase 1, putative 0.0047 0.0969 0.0887
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Plasmodium vivax unspecified product 0.003 0.0479 0.0479
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0174 0.4654 0.4654
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0174 0.4654 0.4654
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0174 0.4654 0.4654
Trypanosoma cruzi cysteine protease, putative 0.0047 0.0969 0.0969
Onchocerca volvulus 0.0358 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 0.0969 0.0969
Entamoeba histolytica aldose reductase, putative 0.0358 1 1
Echinococcus multilocularis aldo keto reductase 0.0358 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0358 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.048 0.0393
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0394 0.0306
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.0969 0.0969
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0174 0.4654 0.4654
Loa Loa (eye worm) oxidoreductase 0.0358 1 1
Brugia malayi RNA, U transporter 1 0.0086 0.2101 0.2101
Giardia lamblia Hypothetical protein 0.0017 0.0091 0.0091
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0358 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.2232 0.2232
Schistosoma mansoni cathepsin S (C01 family) 0.0017 0.0091 0.0091
Schistosoma mansoni ran 0.0022 0.0247 0.0247
Onchocerca volvulus 0.0091 0.2258 0.2187
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0091 0.2258 0.2258
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0174 0.4654 0.4654
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.048 0.048
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0091 0.0091
Giardia lamblia Cathepsin L-like protease 0.0017 0.0091 0.0091
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0017 0.0091 0.0091
Onchocerca volvulus 0.0358 1 1
Onchocerca volvulus 0.0091 0.2258 0.2187
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Plasmodium falciparum serine repeat antigen 8 0.0017 0.0091 0.0091
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.2232 0.2232
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.002 0.0171 1
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0754 0.067
Trypanosoma cruzi aldo-keto reductase 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0091 0.0091
Plasmodium falciparum serine repeat antigen 7 0.0017 0.0091 0.0091
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.1379 0.1379
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 1 1
Schistosoma mansoni potassium channel beta 0.0358 1 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.002 0.0171 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Onchocerca volvulus 0.0358 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0061 0.1379 0.1379
Brugia malayi Cathepsin L-like precursor 0.0061 0.1379 0.1379
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0969 0.0887
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0017 0.0091 0.0091
Plasmodium falciparum thioredoxin reductase 0.004 0.0754 0.0754
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0091 0.0091
Schistosoma mansoni cathepsin s 0.003 0.0479 0.0479
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0247 0.0158
Mycobacterium ulcerans oxidoreductase 0.0358 1 1
Echinococcus multilocularis cathepsin b 0.0017 0.0091 0.0091
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0174 0.4654 0.4654
Schistosoma mansoni pol-related 0.0358 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.003 0.0479 0.0479
Plasmodium falciparum cysteine proteinase falcipain 3 0.0091 0.2258 0.2258
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0017 0.0091 0.0091
Plasmodium vivax unspecified product 0.0017 0.0091 0.0091
Giardia lamblia Cysteine protease 0.0017 0.0091 0.0091
Brugia malayi cathepsin L-like cysteine proteinase 0.0017 0.0091 0.0091
Onchocerca volvulus 0.0091 0.2258 0.2187
Trypanosoma cruzi cysteine peptidase, putative 0.0047 0.0969 0.0969
Onchocerca volvulus 0.0061 0.1379 0.13
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0091 0.0091
Trichomonas vaginalis aldo/keto reductase, putative 0.0358 1 1
Onchocerca volvulus Cathepsin F homolog 0.0091 0.2258 0.2187
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.1379 0.1379
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.2258 0.2258
Giardia lamblia Cathepsin L precursor 0.0017 0.0091 0.0091
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.2258 0.2187
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0091 0.0091
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Trypanosoma brucei prostaglandin f synthase 0.0358 1 1
Plasmodium vivax importin-beta 2, putative 0.003 0.048 0.048
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0358 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0091 0.0091
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Plasmodium falciparum serine repeat antigen 4 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0358 1 1
Mycobacterium tuberculosis Probable reductase 0.0091 0.2232 0.2232
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0068 0.1574 0.1574
Schistosoma mansoni ran 0.0022 0.0247 0.0247
Echinococcus granulosus cathepsin l cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis aldo-keto reductase, putative 0.0358 1 1
Entamoeba histolytica cysteine protease, putative 0.0047 0.0969 0.0887
Onchocerca volvulus Cathepsin L homolog 0.0091 0.2258 0.2187
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.048 0.048
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.2258 0.2258
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0091 0.0091
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0017 0.0091 0.0091
Mycobacterium leprae Possible oxidoreductase 0.0358 1 1
Loa Loa (eye worm) oxidoreductase 0.0358 1 1
Giardia lamblia Cathepsin L-like protease 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.0969 0.0969
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0091
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0017 0.0091 0.0091
Entamoeba histolytica alcohol dehydrogenase, putative 0.0358 1 1
Echinococcus granulosus cysteine protease 0.0047 0.0969 0.0969
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0017 0.0091 0.0091
Trypanosoma cruzi aldo/keto reductase, putative 0.0358 1 1
Plasmodium falciparum serine repeat antigen 2 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0091 0.0091
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0017 0.0091 0.0091
Echinococcus granulosus cathepsin l1 0.0091 0.2258 0.2258
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0358 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0358 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2258 0.2258
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2258 0.2258
Chlamydia trachomatis glutamine binding protein 0.002 0.0171 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0072 0.168 0.168
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.002 0.0171 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Schistosoma mansoni tyrosine kinase 0.0221 0.6013 0.6013
Brugia malayi Cytochrome P450 family protein 0.0027 0.0394 0.0394
Brugia malayi Cathepsin L-like precursor 0.0061 0.1379 0.1379
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0091 0.2258 0.2258
Entamoeba histolytica aldose reductase, putative 0.0358 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.2258 0.2258
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0247 0.0247
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0313 0.0313
Echinococcus granulosus cathepsin L 0.0047 0.0969 0.0969
Trypanosoma brucei aldo-keto reductase, putative 0.0358 1 1
Echinococcus multilocularis importin subunit beta 1 0.003 0.048 0.048
Onchocerca volvulus 0.0091 0.2258 0.2187
Leishmania major cathepsin L-like protease 0.0091 0.2258 0.2258
Loa Loa (eye worm) oxidoreductase 0.0358 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0358 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0017 0.0091 0.0091
Leishmania major cysteine peptidase A (CPA) 0.0091 0.2258 0.2258
Giardia lamblia Cysteine protease 0.0017 0.0091 0.0091
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0017 0.0091 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.2258 0.2258
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0091 0.0091
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0358 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0068 0.1574 0.1574
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.003 0.0479 0.0479

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.7 nM Agonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release based reporter gene assay ChEMBL. 19376703
IC50 (binding) = 32 nM Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay ChEMBL. 19376703
IC50 (ADMET) = 0.063 uM Inhibition of CYP2C19 ChEMBL. 19376703
Intrinsic activity (functional) = 76 % Intrinsic agonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release based reporter gene assay relative to progesterone ChEMBL. 19376703

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

Bibliographic References

1 literature reference was collected for this gene.

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