Detailed information for compound 1324122

Basic information

Technical information
  • TDR Targets ID: 1324122
  • Name: 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6- carbonyl)-4-piperidin-1-ylpiperidine-4-carbox amide
  • MW: 467.948 | Formula: C24H26ClN5O3
  • H donors: 1 H acceptors: 3 LogP: 2.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(=O)n1c(n2)c(ccc1)C(=O)N1CCC(CC1)(C(=O)N)N1CCCCC1
  • InChi: 1S/C24H26ClN5O3/c25-16-6-7-19-18(15-16)22(32)30-12-4-5-17(20(30)27-19)21(31)28-13-8-24(9-14-28,23(26)33)29-10-2-1-3-11-29/h4-7,12,15H,1-3,8-11,13-14H2,(H2,26,33)
  • InChiKey: XRPNCQQSJLIBMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-chloro-11-oxo-pyrido[2,1-b]quinazoline-6-carbonyl)-4-(1-piperidyl)piperidine-4-carboxamide
  • 1-[(2-chloro-11-oxo-6-pyrido[2,1-b]quinazolinyl)-oxomethyl]-4-(1-piperidyl)-4-piperidinecarboxamide
  • 1-(2-chloro-11-keto-pyrido[2,1-b]quinazoline-6-carbonyl)-4-piperidino-isonipecotamide
  • 1-(2-chloro-11-oxo-pyrido[2,1-b]quinazolin-6-yl)carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide
  • EU-0095084
  • MLS000095619
  • SMR000031170
  • 1'-[(2-chloro-11-oxo-11H-pyrido[2,1-b]quinazolin-6-yl)carbonyl]-1,4'-bipiperidine-4'-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
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 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.005 0.0291 0.0479
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0084 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.022
Echinococcus multilocularis caspase 2 0.0103 0.1943 0.1943
Leishmania major metacaspase, putative 0.0053 0.0404 0.2208
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0134 0.0134
Leishmania major hypothetical protein, conserved 0.0084 0.1361 1
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0084 0.1361 0.1684
Echinococcus multilocularis caspase 3 0.0088 0.1468 0.1468
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.312 0.312
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.1361 1
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.312 0.5128
Schistosoma mansoni hypothetical protein 0.0205 0.5079 0.8349
Brugia malayi YY1-associated factor 2 0.0084 0.1361 0.2237
Brugia malayi Cytochrome P450 family protein 0.0059 0.0574 0.0944
Echinococcus granulosus SWI:SNF matrix associated 0.0237 0.6084 0.6084
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0237 0.6084 0.6084
Schistosoma mansoni zinc finger protein 0.0084 0.1361 0.2237
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0399 0.0656
Trypanosoma cruzi metacaspase, putative 0.0053 0.0404 0.2208
Leishmania major hypothetical protein, conserved 0.0084 0.1361 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Onchocerca volvulus 0.0237 0.6084 1
Trypanosoma brucei Metacaspase-4 0.0053 0.0404 0.2208
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.022
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0134 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0134 0.022
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Echinococcus multilocularis tumor protein p63 0.0364 1 1
Schistosoma mansoni hypothetical protein 0.0237 0.6084 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0084 0.1361 0.2237
Toxoplasma gondii ran binding protein 0.0084 0.1361 0.1684
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0084 0.1361 0.1684
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.1361 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.312 0.312
Trypanosoma cruzi metacaspase, putative 0.0053 0.0404 0.2208
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.0404 0.0665
Schistosoma mansoni hypothetical protein 0.0205 0.5079 0.8349
Schistosoma mansoni TRABID protein (C64 family) 0.0084 0.1361 0.2237
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0404 0.2208
Echinococcus granulosus geminin 0.0205 0.5079 0.5079
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0084 0.1361 0.1846
Echinococcus granulosus Zinc finger RanBP2 type 0.0084 0.1361 0.1361
Trypanosoma cruzi metacaspase, putative 0.0053 0.0404 0.2208
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0134 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0084 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1361 0.2237
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0084 0.1361 1
Onchocerca volvulus 0.0084 0.1361 0.1846
Brugia malayi brahma associated protein 60 kDa 0.0237 0.6084 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0237 0.6084 1
Onchocerca volvulus 0.0084 0.1361 0.1846
Trichomonas vaginalis conserved hypothetical protein 0.0237 0.6084 1
Echinococcus granulosus ring and YY1 binding protein 0.0084 0.1361 0.1361
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0084 0.1361 0.2237
Loa Loa (eye worm) hypothetical protein 0.0084 0.1361 0.2237
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0084 0.1361 0.1361
Loa Loa (eye worm) hypothetical protein 0.0103 0.1943 0.3193
Schistosoma mansoni fusion 0.0084 0.1361 0.2237
Loa Loa (eye worm) brahma associated protein 0.0237 0.6084 1
Echinococcus granulosus caspase 2 0.0103 0.1943 0.1943
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0237 0.6084 0.6084
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0237 0.6084 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0084 0.1361 0.1361
Onchocerca volvulus 0.0053 0.0399 0.0187
Trypanosoma brucei metacaspase 5, putative 0.0053 0.0404 0.2208
Echinococcus granulosus zinc finger protein Ran binding 0.0084 0.1361 0.1361
Brugia malayi brahma associated protein 60 kDa 0.0237 0.6084 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0237 0.6084 0.6084
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1361 0.2237
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Trypanosoma cruzi WLM domain containing protein, putative 0.0084 0.1361 1
Schistosoma mansoni hypothetical protein 0.0084 0.1361 0.2237
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.312 0.5128
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0134 0.5
Onchocerca volvulus 0.0084 0.1361 0.1846
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0134 0.022
Echinococcus multilocularis caspase 0.0141 0.312 0.312
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0084 0.1361 1
Echinococcus granulosus caspase 0.0141 0.312 0.312
Loa Loa (eye worm) hypothetical protein 0.0084 0.1361 0.2237
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0084 0.1361 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.0404 0.0665
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0134 0.022
Echinococcus granulosus caspase 8 0.0053 0.0404 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Leishmania major hypothetical protein, conserved 0.0084 0.1361 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0237 0.6084 1
Trypanosoma brucei metacaspase 0.0053 0.0404 0.2208
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0237 0.6084 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0134 0.0134
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.1361 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0084 0.1361 0.1361
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.1943 0.3193
Plasmodium vivax hypothetical protein, conserved 0.0237 0.6084 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Brugia malayi hypothetical protein 0.005 0.0291 0.0479
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0404 0.2208
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.1943 0.2851
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Loa Loa (eye worm) hypothetical protein 0.0053 0.0404 0.0665
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0084 0.1361 0.1361
Schistosoma mansoni hypothetical protein 0.0237 0.6084 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0574 0.0944
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0084 0.1361 1
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.1361 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0134 0.0134
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0237 0.6084 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0237 0.6084 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0134 0.022
Schistosoma mansoni hypothetical protein 0.005 0.0291 0.0479
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0134 0.0134
Brugia malayi SWIB/MDM2 domain containing protein 0.0237 0.6084 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0291 0.0291
Chlamydia trachomatis SWIB complex protein 0.0237 0.6084 0.5
Echinococcus granulosus caspase 3 0.0088 0.1468 0.1468
Echinococcus multilocularis ring and YY1 binding protein 0.0084 0.1361 0.1361
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0084 0.1361 1
Trypanosoma cruzi metacaspase, putative 0.0053 0.0404 0.2208
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0291 0.0291
Leishmania major hypothetical protein, conserved 0.0084 0.1361 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0134 0.0134
Echinococcus multilocularis SWI:SNF matrix associated 0.0237 0.6084 0.6084
Echinococcus multilocularis SWI:SNF matrix associated 0.0237 0.6084 0.6084
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0404 0.0665
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0084 0.1361 0.2237
Brugia malayi Cell death protein 3 precursor 0.0103 0.1943 0.3193
Trypanosoma brucei metacaspase MCA2 0.0053 0.0404 0.2208
Loa Loa (eye worm) hypothetical protein 0.0084 0.1361 0.2237
Leishmania major hypothetical protein, conserved 0.0084 0.1361 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0084 0.1361 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0134 0.0134
Echinococcus multilocularis geminin 0.0205 0.5079 0.5079
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0404 0.0665
Chlamydia trachomatis DNA topoisomerase I 0.0237 0.6084 0.5
Echinococcus multilocularis caspase 8 0.0053 0.0404 0.0404
Onchocerca volvulus 0.0084 0.1361 0.1846
Loa Loa (eye worm) hypothetical protein 0.0053 0.0399 0.0656
Trypanosoma brucei metacaspase MCA3 0.0053 0.0404 0.2208
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0084 0.1361 0.2237
Schistosoma mansoni brg-1 associated factor 0.0237 0.6084 1
Schistosoma mansoni RNA binding protein 0.0084 0.1361 0.2237
Schistosoma mansoni hypothetical protein 0.0237 0.6084 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 11.22018454 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 1.9012 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 35.4813 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) 35.4813 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) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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