Detailed information for compound 1411402
Basic information
Technical information
- TDR Targets ID: 1411402
- Name: 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazo l-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyr imidine-2-carboxamide
- MW: 447.367 | Formula: C20H16F3N5O4
-
H donors: 1
H acceptors: 4
LogP: 3.2
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(ccc1OC)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1noc(c1)C
- InChi: 1S/C20H16F3N5O4/c1-10-6-17(27-32-10)25-19(29)13-9-18-24-12(8-16(20(21,22)23)28(18)26-13)11-4-5-14(30-2)15(7-11)31-3/h4-9H,1-3H3,(H,25,27,29)
- InChiKey: HYKNHFHXGWYCIJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 5-(3,4-dimethoxyphenyl)-N-(5-methylisoxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 5-(3,4-dimethoxyphenyl)-N-(5-methyl-3-isoxazolyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
- ZINC01068486
- ChemDiv1_012299
- 5-(3,4-dimethoxyphenyl)-N-(5-methyl-3-isoxazolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- MLS000052658
- SMR000082341
- EU-0086849
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | Starlite/ChEMBL | No references |
| Homo sapiens | snurportin 1 | No references | |
| Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
| Homo sapiens | RAN, member RAS oncogene family | No references | |
| Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | sphingomyelin phosphodiesterase 1, acid lysosomal | Starlite/ChEMBL | No references |
| Homo sapiens | karyopherin (importin) beta 1 | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
| Plasmodium falciparum | 3-oxoacyl-[acyl-carrier-protein] reductase | hydroxysteroid (17-beta) dehydrogenase 10 | 252 aa | 251 aa | 24.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | cathepsin l1 | 0.0014 | 0.0032 | 0.0038 |
| Plasmodium falciparum | GTP-binding nuclear protein RAN/TC4 | 0.0026 | 0.0157 | 0.4571 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0463 | 0.0463 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0101 | 0.1098 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Entamoeba histolytica | methionine aminopeptidase, putative | 0.0044 | 0.0343 | 0.3726 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Loa Loa (eye worm) | GTP-binding nuclear protein RAN/TC4 | 0.0026 | 0.0157 | 0.0224 |
| Trypanosoma cruzi | GTP-binding nuclear protein rtb2, putative | 0.0026 | 0.0157 | 0.2283 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0101 | 0.0101 |
| Trypanosoma cruzi | importin beta-1 subunit, putative | 0.0028 | 0.0184 | 0.2675 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0649 | 1 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.0101 | 0.0124 |
| Echinococcus granulosus | geminin | 0.0205 | 0.2005 | 0.236 |
| Brugia malayi | cathepsin L-like precursor | 0.0014 | 0.0032 | 0.0057 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.0517 | 0.7525 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0069 | 0.0608 | 0.1083 |
| Brugia malayi | GTP-binding nuclear protein RAN/TC4 | 0.0026 | 0.0157 | 0.028 |
| Loa Loa (eye worm) | hypothetical protein | 0.01 | 0.0922 | 0.1595 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Leishmania major | GTP-binding protein, putative | 0.0026 | 0.0157 | 0.0952 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2005 | 0.236 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.0101 | 0.0119 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trypanosoma brucei | methionine aminopeptidase 2, putative | 0.0044 | 0.0343 | 0.4995 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.0608 | 0.0608 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0101 | 0.0101 |
| Schistosoma mansoni | importin beta-1 | 0.0035 | 0.0252 | 0.0297 |
| Schistosoma mansoni | hypothetical protein | 0.0554 | 0.5609 | 0.6604 |
| Giardia lamblia | Methionine aminopeptidase | 0.0044 | 0.0343 | 1 |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.0649 | 0.0764 |
| Trypanosoma brucei | metallo-peptidase, Clan MG, Family M24 | 0.0044 | 0.0343 | 0.4995 |
| Trypanosoma cruzi | metallo-peptidase, Clan MG, Family M24 | 0.0044 | 0.0343 | 0.4995 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.8494 | 0.8494 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.0619 | 0.8997 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.0032 | 0.0057 |
| Toxoplasma gondii | GTP-binding nuclear protein ran/tc4 | 0.0026 | 0.0157 | 0.1018 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0688 | 1 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.0044 | 0.0343 | 1 |
| Trichomonas vaginalis | Importin beta-1 subunit, putative | 0.0028 | 0.0184 | 0.5354 |
| Brugia malayi | initiation factor 2-associated protein. | 0.0044 | 0.0343 | 0.0612 |
| Onchocerca volvulus | Methionine aminopeptidase 2 homolog | 0.0044 | 0.0343 | 1 |
| Plasmodium falciparum | methionine aminopeptidase 2 | 0.0044 | 0.0343 | 1 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.0044 | 0.0343 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0372 | 0.3729 | 0.4391 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0069 | 0.0608 | 0.0715 |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.0101 | 0.0124 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0463 | 0.0545 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Toxoplasma gondii | HEAT repeat-containing protein | 0.0035 | 0.0252 | 0.2749 |
| Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0184 | 0.1995 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.002 | 0.0101 | 0.1472 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.002 | 0.0101 | 0.0101 |
| Loa Loa (eye worm) | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0065 | 0.0559 | 0.0945 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0101 | 0.0119 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0649 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Echinococcus multilocularis | snurportin 1 | 0.0372 | 0.3729 | 0.3729 |
| Trichomonas vaginalis | importin beta-1, putative | 0.0028 | 0.0184 | 0.5354 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0463 | 0.0545 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0463 | 0.0545 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.0101 | 0.0124 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Brugia malayi | Importin beta-1 subunit | 0.0035 | 0.0252 | 0.0449 |
| Plasmodium vivax | GTP-binding nuclear protein RAN/TC4, putative | 0.0026 | 0.0157 | 0.4571 |
| Trypanosoma brucei | importin beta-1 subunit, putative | 0.0035 | 0.0252 | 0.3663 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.0101 | 0.0119 |
| Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0372 | 0.3729 | 0.6629 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0463 | 0.0545 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.8494 | 1 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.0649 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Plasmodium vivax | importin-beta 2, putative | 0.0035 | 0.0252 | 0.7333 |
| Brugia malayi | Cathepsin L-like cysteine proteinase | 0.0014 | 0.0032 | 0.0057 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Loa Loa (eye worm) | initiation factor 2-associated protein | 0.0044 | 0.0343 | 0.0558 |
| Echinococcus multilocularis | indoleamine 2,3 dioxygenase 2 | 0.0554 | 0.5609 | 0.5609 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.0101 | 0.018 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0252 | 0.0394 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0101 | 0.0101 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0688 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0688 | 1 |
| Plasmodium falciparum | importin beta, putative | 0.0035 | 0.0252 | 0.7333 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.0649 | 1 |
| Loa Loa (eye worm) | indoleamine 2,3-dioxygenase | 0.0554 | 0.5609 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus multilocularis | GTP binding nuclear protein Ran | 0.0026 | 0.0157 | 0.0157 |
| Schistosoma mansoni | ran | 0.0026 | 0.0157 | 0.0185 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0688 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.0014 | 0.0032 | 0.0057 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.0044 | 0.0343 | 1 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0014 | 0.0032 | 0.0038 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0101 | 0.0124 |
| Trypanosoma brucei | GTP-binding nuclear protein rtb2, putative | 0.0026 | 0.0157 | 0.2283 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 0.0688 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0463 | 0.0545 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0101 | 0.2216 |
| Entamoeba histolytica | Acid sphingomyelinase-like phosphodiesterase, putative | 0.01 | 0.0922 | 1 |
| Trichomonas vaginalis | Importin beta-1 subunit, putative | 0.0028 | 0.0184 | 0.5354 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.0101 | 0.0124 |
| Entamoeba histolytica | Ran family GTPase | 0.0026 | 0.0157 | 0.1703 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0463 | 0.0772 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.0101 | 0.0119 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0101 | 0.2946 |
| Trypanosoma cruzi | GTP-binding nuclear protein rtb2, putative | 0.0026 | 0.0157 | 0.2283 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0101 | 0.2216 |
| Trichomonas vaginalis | ran, putative | 0.0026 | 0.0157 | 0.4571 |
| Brugia malayi | indoleamine 2,3-dioxygenase | 0.0554 | 0.5609 | 1 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.0649 | 0.9347 |
| Echinococcus granulosus | indoleamine 23 dioxygenase 2 | 0.0554 | 0.5609 | 0.6604 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.8494 | 1 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.0649 | 0.0649 |
| Echinococcus granulosus | snurportin 1 | 0.0372 | 0.3729 | 0.4391 |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.0101 | 0.2216 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.0032 | 0.0937 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.002 | 0.0101 | 0.0101 |
| Echinococcus granulosus | methionyl aminopeptidase 2 | 0.0044 | 0.0343 | 0.0404 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Echinococcus multilocularis | cysteine protease | 0.002 | 0.0101 | 0.0101 |
| Echinococcus granulosus | importin subunit beta 1 | 0.0035 | 0.0252 | 0.0297 |
| Entamoeba histolytica | Acid sphingomyelinase-like phosphodiesterase, putative | 0.01 | 0.0922 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Schistosoma mansoni | ran | 0.0026 | 0.0157 | 0.0185 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0101 | 0.018 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0014 | 0.0032 | 0.0349 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus multilocularis | methionyl aminopeptidase 2 | 0.0044 | 0.0343 | 0.0343 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.0101 | 0.0124 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0101 | 0.0119 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.0649 | 0.0764 |
| Leishmania major | methionine aminopeptidase 2, putative | 0.0044 | 0.0343 | 0.4132 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0688 | 1 |
| Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.0649 | 1 |
| Leishmania major | importin beta-1 subunit, putative | 0.0028 | 0.0184 | 0.1411 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Schistosoma mansoni | hypothetical protein | 0.0554 | 0.5609 | 0.6604 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.2005 | 0.236 |
| Toxoplasma gondii | methionine aminopeptidase 2, putative | 0.0044 | 0.0343 | 0.442 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0069 | 0.0608 | 0.8634 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.0101 | 0.1098 |
| Echinococcus multilocularis | importin subunit beta 1 | 0.0035 | 0.0252 | 0.0252 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.0608 | 0.0715 |
| Trypanosoma brucei | importin beta-1 subunit, putative | 0.0035 | 0.0252 | 0.3663 |
| Plasmodium vivax | vivapain-2 | 0.002 | 0.0101 | 0.2946 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0463 | 0.0825 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0014 | 0.0032 | 0.0937 |
| Brugia malayi | RNA, U transporter 1 | 0.0099 | 0.0915 | 0.163 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0463 | 0.0463 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0101 | 0.1098 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Onchocerca volvulus | 0.002 | 0.0101 | 0.2216 | |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.0649 | 0.0764 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0688 | 1 |
| Schistosoma mansoni | methionyl aminopeptidase 2 (M24 family) | 0.0044 | 0.0343 | 0.0404 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.0044 | 0.0343 | 1 |
| Trypanosoma cruzi | metallo-peptidase, Clan MG, Family M24 | 0.0044 | 0.0343 | 0.4995 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0688 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Echinococcus granulosus | GTP binding nuclear protein Ran | 0.0026 | 0.0157 | 0.0185 |
| Echinococcus multilocularis | geminin | 0.0205 | 0.2005 | 0.2005 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0101 | 0.2946 |
| Plasmodium vivax | methionine aminopeptidase 2, putative | 0.0044 | 0.0343 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0112 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
| Potency (functional) | 0.7051 uM | PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with MMS Viability. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.122 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
| Potency (functional) | 1.1689 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.9872 uM | PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with 5FU Viability. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.9872 uM | PubChem BioAssay. HTS assay for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 3.5481 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 3.6626 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 5.0119 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.5131 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.9433 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
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
- ChEMBL: CHEMBL1550684
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.