Detailed information for compound 1445396

Basic information

Technical information
  • TDR Targets ID: 1445396
  • Name: 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(4-m ethoxyphenyl)pteridin-7-one
  • MW: 438.864 | Formula: C22H19ClN4O4
  • H donors: 0 H acceptors: 3 LogP: 3.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c2nc(ncc2nc(c1=O)c1ccc(cc1)OC)Oc1cccc(c1)Cl
  • InChi: 1S/C22H19ClN4O4/c1-29-11-10-27-20-18(13-24-22(26-20)31-17-5-3-4-15(23)12-17)25-19(21(27)28)14-6-8-16(30-2)9-7-14/h3-9,12-13H,10-11H2,1-2H3
  • InChiKey: XFZWTOAVXZCYSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(4-methoxyphenyl)-7-pteridinone
  • NCGC00012317
  • PCOP-790744

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 caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 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
Trypanosoma congolense 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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis caspase 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
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
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
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
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 Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Trypanosoma cruzi metacaspase, putative 0.0053 0.0441 0.0287
Echinococcus granulosus caspase 3 0.0088 0.1306 0.4607
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0159 0.0206
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Brugia malayi Delta5 fatty acid desaturase 0.0091 0.1377 0.1783
Mycobacterium ulcerans electron transfer protein FdxB 0.0091 0.1377 1
Echinococcus multilocularis caspase 8 0.0053 0.0441 0.1134
Brugia malayi Cell death protein 3 precursor 0.0103 0.1691 0.219
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.0441 0.1134
Onchocerca volvulus Huntingtin homolog 0.0144 0.2706 0.2588
Mycobacterium leprae Probable lipase LipE 0.0042 0.0159 0.5
Mycobacterium tuberculosis Probable conserved membrane protein 0.0091 0.1377 0.2133
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0441 0.2318
Brugia malayi Fatty acid desaturase family protein 0.0091 0.1377 0.1783
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0091 0.1377 0.1238
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0091 0.1377 1
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Echinococcus granulosus caspase 8 0.0053 0.0441 0.1134
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.084 0.2735
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0091 0.1377 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0091 0.1377 0.1238
Loa Loa (eye worm) acyl-CoA desaturase 0.0343 0.7722 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0441 0.2318
Brugia malayi hypothetical protein 0.0144 0.2706 0.3504
Trypanosoma brucei metacaspase MCA3 0.0053 0.0441 0.0287
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.084 0.5588
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0159 0.0206
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0091 0.1377 1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0091 0.1377 0.2133
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.084 0.1192
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.1691 0.1557
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0722 0.0936
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0091 0.1377 0.1238
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0441 0.0373
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0091 0.1377 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0349 0.0764
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0343 0.7722 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Trypanosoma brucei metacaspase 0.0053 0.0441 0.0287
Loa Loa (eye worm) FAT-3 protein 0.0091 0.1377 0.1783
Schistosoma mansoni hypothetical protein 0.005 0.0349 0.0764
Loa Loa (eye worm) hypothetical protein 0.0144 0.2706 0.3504
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.084 0.2735
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.0441 0.0571
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.5871 1
Trypanosoma brucei metacaspase 5, putative 0.0053 0.0441 0.0287
Trypanosoma cruzi metacaspase, putative 0.0053 0.0441 0.0287
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.084 0.1087
Onchocerca volvulus 0.005 0.0349 0.0193
Loa Loa (eye worm) hypothetical protein 0.0053 0.0441 0.0571
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.1691 0.6157
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0441 0.0287
Onchocerca volvulus Huntingtin homolog 0.0144 0.2706 0.2588
Echinococcus granulosus Fatty acid desaturase type 1 0.0091 0.1377 0.4894
Plasmodium vivax metacaspase 1, putative 0.0053 0.0441 0.0373
Trypanosoma cruzi fatty acid desaturase, putative 0.0091 0.1377 0.1238
Brugia malayi Fatty acid desaturase family protein 0.0091 0.1377 0.1783
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0441 0.2318
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0091 0.1377 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Echinococcus multilocularis caspase 2 0.0103 0.1691 0.6157
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0091 0.1377 0.2133
Onchocerca volvulus 0.0434 1 1
Trypanosoma cruzi metacaspase, putative 0.0053 0.0441 0.0287
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0091 0.1377 0.4894
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Leishmania major fatty acid desaturase, putative 0.0091 0.1377 0.1238
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Leishmania major metacaspase, putative 0.0053 0.0441 0.0287
Onchocerca volvulus 0.0091 0.1377 0.1238
Onchocerca volvulus 0.0434 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0091 0.1377 0.1783
Loa Loa (eye worm) hypothetical protein 0.0144 0.2706 0.3504
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Brugia malayi acyl-CoA desaturase 0.0343 0.7722 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Brugia malayi beta-lactamase family protein 0.0042 0.0159 0.0206
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0434 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0091 0.1377 0.1238
Leishmania major fatty-acid desaturase, putative 0.0434 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0343 0.7722 0.7685
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0349 0.0764
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Trypanosoma brucei Metacaspase-4 0.0053 0.0441 0.0287
Echinococcus granulosus caspase 2 0.0103 0.1691 0.6157
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0091 0.1377 0.4894
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.2648 1
Plasmodium falciparum stearoyl-CoA desaturase 0.0343 0.7722 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1691 0.219
Brugia malayi beta-lactamase 0.0042 0.0159 0.0206
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.084 0.0692
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0091 0.1377 0.4894
Echinococcus multilocularis caspase 0.0141 0.2648 1
Trypanosoma cruzi metacaspase, putative 0.0053 0.0441 0.0287
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.2648 1
Mycobacterium ulcerans hypothetical protein 0.0091 0.1377 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.2648 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0206
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0091 0.1377 0.1238
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0091 0.1377 0.4894
Trypanosoma brucei fatty acid desaturase, putative 0.0434 1 1
Leishmania major delta-12 fatty acid desaturase 0.0091 0.1377 0.1238
Echinococcus granulosus caspase 0.0141 0.2648 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1377 0.1783
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.2648 1
Leishmania major fatty acid desaturase, putative 0.0091 0.1377 0.1238
Loa Loa (eye worm) fatty acid desaturase 0.0091 0.1377 0.1783
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Leishmania major delta-6 fatty acid desaturase 0.0091 0.1377 0.1238
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0091 0.1377 0.1238
Leishmania major delta-4 fatty acid desaturase 0.0091 0.1377 0.1238
Leishmania major delta-5 fatty acid desaturase 0.0091 0.1377 0.1238
Brugia malayi hypothetical protein 0.005 0.0349 0.0452
Loa Loa (eye worm) beta-lactamase 0.0042 0.0159 0.0206
Trypanosoma cruzi fatty acid desaturase, putative 0.0343 0.7722 0.7685
Loa Loa (eye worm) hypothetical protein 0.005 0.0349 0.0452
Brugia malayi beta-lactamase family protein 0.0042 0.0159 0.0206
Trypanosoma brucei delta-4 fatty acid desaturase 0.0091 0.1377 0.1238
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0441 0.0287
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0159 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.084 0.5588
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0091 0.1377 0.1238
Echinococcus multilocularis caspase 3 0.0088 0.1306 0.4607
Trypanosoma brucei metacaspase MCA2 0.0053 0.0441 0.0287
Mycobacterium ulcerans hypothetical protein 0.0091 0.1377 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.084 0.2735
Schistosoma mansoni fatty acid desaturase 0.0091 0.1377 0.4894
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0441 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0441 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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.630957344 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) = 1.995262315 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) = 6.309573445 uM 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
Potency (ADMET) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference

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

No literature references available for this target.

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