Detailed information for compound 1888569

Basic information

Technical information
  • TDR Targets ID: 1888569
  • Name: 3-[(E)-hydroxyiminomethyl]-9-methyl-2-pyrroli din-1-ylpyrido[2,1-b]pyrimidin-4-one
  • MW: 272.302 | Formula: C14H16N4O2
  • H donors: 1 H acceptors: 2 LogP: 1.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1c(nc2n(c1=O)cccc2C)N1CCCC1
  • InChi: 1S/C14H16N4O2/c1-10-5-4-8-18-12(10)16-13(17-6-2-3-7-17)11(9-15-20)14(18)19/h4-5,8-9,20H,2-3,6-7H2,1H3/b15-9+
  • InChiKey: LKRHOXPBXRMLQW-OQLLNIDSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(hydroxyiminomethyl)-9-methyl-2-pyrrolidin-1-ylpyrido[2,1-b]pyrimidin-4-one
  • 9-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
  • 9-methyl-4-oxo-2-1-pyrrolidinyl-3-pyrido[1,2-a]pyrimidinecarboxaldehyde oxime
  • 4-keto-9-methyl-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
  • 3-(hydroxyiminomethyl)-9-methyl-2-pyrrolidin-1-yl-pyrido[2,1-b]pyrimidin-4-one
  • 3-[(E)-hydroxyiminomethyl]-9-methyl-2-pyrrolidin-1-yl-pyrido[2,1-b]pyrimidin-4-one
  • MLS000565408
  • SMR000152585
  • T0503-5749
  • Oprea1_745434

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
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
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
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
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
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:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania braziliensis cytochrome p450-like protein 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
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania donovani cytochrome p450-like protein 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
Trypanosoma cruzi cytochrome P450, putative 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
Leishmania mexicana cytochrome p450-like 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
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0505 0.5169
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0456 0.0855
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0241 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.2989 0.2963
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.1537 0.1505
Treponema pallidum ATP-dependent DNA helicase 0.0008 0.00000000026552 0.5
Trichomonas vaginalis esterase, putative 0.0031 0.0977 0.6999
Echinococcus granulosus importin subunit beta 1 0.0023 0.0639 0.0604
Entamoeba histolytica Ran family GTPase 0.0017 0.0384 0.7598
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.049 0.5016
Leishmania major GTP-binding protein, putative 0.0017 0.0384 0.2179
Loa Loa (eye worm) CYP4Cod1 0.0019 0.049 0.049
Leishmania major cytochrome p450-like protein 0.0019 0.049 0.2849
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.049 0.049
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0009 0.0038 0.0384
Loa Loa (eye worm) hypothetical protein 0.004 0.137 0.137
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0017 0.0384 0.0348
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0316 0.1166
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0046 0.1627 0.1993
Schistosoma mansoni transient receptor potential channel 0.0078 0.2989 0.2989
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0017 0.0384 0.1452
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0017 0.0384 0.236
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0017 0.0384 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0977 1
Mycobacterium tuberculosis Conserved protein 0.0031 0.0977 0.1178
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0977 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.049 0.049
Brugia malayi Doublecortin family protein 0.0015 0.0307 0.1128
Trypanosoma brucei cytochrome P450, putative 0.0019 0.049 0.4817
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0316 0.1941
Brugia malayi Cytochrome P450 family protein 0.0019 0.049 0.1898
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0307 0.027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.1627 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0031 0.0977 0.0977
Mycobacterium tuberculosis Probable hydrolase 0.0031 0.0977 0.1178
Toxoplasma gondii cytochrome p450 superfamily protein 0.0009 0.0038 0.0231
Loa Loa (eye worm) hypothetical protein 0.0023 0.0639 0.0639
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.1627 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0.0038 0.0384
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0977 0.0977
Toxoplasma gondii HEAT repeat-containing protein 0.0023 0.0639 0.393
Mycobacterium tuberculosis Probable lipase LipE 0.0031 0.0977 0.1178
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0316 0.1166
Loa Loa (eye worm) hypothetical protein 0.0015 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0011 0.0125 0.0125
Echinococcus multilocularis beta LACTamase domain containing family member 0.0031 0.0977 0.0943
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0384 0.3927
Brugia malayi hypothetical protein 0.0015 0.0307 0.1128
Schistosoma mansoni hypothetical protein 0.0241 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0031 0.0977 0.1178
Trichomonas vaginalis DNA helicase recq, putative 0.0036 0.1232 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0.0038 0.0384
Schistosoma mansoni loxhd1 0.0015 0.0307 0.0307
Schistosoma mansoni DNA helicase recq5 0.0015 0.0316 0.0316
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0038 0.0038
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.2989 0.2963
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Trypanosoma cruzi importin beta-1 subunit, putative 0.0018 0.0456 0.4669
Toxoplasma gondii ABC1 family protein 0.0031 0.0977 0.6008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0031 0.0977 0.394
Onchocerca volvulus 0.0031 0.0977 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0046 0.1627 0.1595
Trichomonas vaginalis importin beta-1, putative 0.0018 0.0456 0.0855
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0505 0.2943
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0015 0.0316 0.0316
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0017 0.0384 0.0384
Entamoeba histolytica hypothetical protein 0.0018 0.0456 0.9032
Schistosoma mansoni hypothetical protein 0.0015 0.0307 0.0307
Echinococcus granulosus bloom syndrome protein 0.0036 0.1232 0.1199
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0046 0.1627 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.452 0.4499
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.1537 0.1505
Loa Loa (eye worm) hypothetical protein 0.0184 0.7524 0.7524
Schistosoma mansoni transient receptor potential channel 0.0078 0.2989 0.2989
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0505 0.4976
Mycobacterium ulcerans hypothetical protein 0.0031 0.0977 0.5914
Echinococcus multilocularis Polycystic kidney disease protein 0.0015 0.0307 0.027
Loa Loa (eye worm) hypothetical protein 0.0015 0.0316 0.0316
Toxoplasma gondii aldehyde dehydrogenase 0.0046 0.1627 1
Mycobacterium ulcerans lipase LipD 0.0031 0.0977 0.5914
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.049 0.2849
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0714 0.439
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0316 0.1941
Schistosoma mansoni lipoxygenase 0.0089 0.3469 0.3469
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0015 0.0316 0.0279
Schistosoma mansoni ran 0.0017 0.0384 0.0384
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0977 1
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.0977 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.4687 0.4667
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0977 0.6999
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0977 0.0977
Loa Loa (eye worm) hypothetical protein 0.0015 0.0307 0.0307
Brugia malayi RNA, U transporter 1 0.0064 0.2423 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0046 0.1627 0.1595
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0031 0.0977 0.1178
Brugia malayi Importin beta-1 subunit 0.0023 0.0639 0.2523
Schistosoma mansoni rab6-interacting 0.0015 0.0307 0.0307
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.452 0.4499
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.1627 0.1627
Echinococcus multilocularis RUN 0.0015 0.0307 0.027
Schistosoma mansoni importin beta-1 0.0023 0.0639 0.0639
Mycobacterium leprae Probable lipase LipE 0.0031 0.0977 1
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0977 0.6999
Echinococcus granulosus RUN 0.0015 0.0307 0.027
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0977 0.6999
Schistosoma mansoni ran 0.0017 0.0384 0.0384
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0456 0.0855
Trichomonas vaginalis DNA helicase recq1, putative 0.0036 0.1232 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0031 0.0977 0.1178
Schistosoma mansoni blooms syndrome DNA helicase 0.0029 0.0904 0.0904
Brugia malayi Transient-receptor-potential like protein 0.0044 0.1537 0.6286
Schistosoma mansoni polycystin 1-related 0.0015 0.0307 0.0307
Brugia malayi Cytochrome P450 family protein 0.0019 0.049 0.1898
Onchocerca volvulus 0.0031 0.0977 1
Brugia malayi hypothetical protein 0.0015 0.0307 0.1128
Brugia malayi beta-lactamase family protein 0.0031 0.0977 0.394
Echinococcus granulosus Polycystic kidney disease protein 0.0015 0.0307 0.027
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0505 1
Plasmodium vivax importin-beta 2, putative 0.0023 0.0639 0.496
Echinococcus granulosus GTP binding nuclear protein Ran 0.0017 0.0384 0.0348
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0015 0.0316 0.0125
Plasmodium falciparum importin beta, putative 0.0023 0.0639 0.4522
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0031 0.0977 0.1178
Schistosoma mansoni hypothetical protein 0.0009 0.0038 0.0038
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0017 0.0384 0.3685
Schistosoma mansoni transient receptor potential channel 0.0117 0.4687 0.4687
Mycobacterium ulcerans esterase/lipase LipP 0.0031 0.0977 0.5914
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.1627 1
Leishmania major importin beta-1 subunit, putative 0.0018 0.0456 0.2635
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0307 0.027
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0015 0.0316 0.0279
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0195 0.8013 1
Brugia malayi Bloom's syndrome protein homolog 0.0036 0.1232 0.5006
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.4687 0.4687
Brugia malayi beta-lactamase family protein 0.0031 0.0977 0.394
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Mycobacterium tuberculosis Conserved protein 0.0031 0.0977 0.1178
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0639 0.6403
Echinococcus multilocularis bloom syndrome protein 0.0036 0.1232 0.1199
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0977 0.6999
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0025 0.0727 0.6262
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0977 1
Loa Loa (eye worm) RecQ helicase 0.0036 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Loa Loa (eye worm) hypothetical protein 0.0044 0.1537 0.1537
Leishmania major hypothetical protein, conserved 0.0031 0.0977 0.5914
Schistosoma mansoni cytochrome P450 0.0009 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0117 0.4687 0.4687
Mycobacterium tuberculosis Conserved protein 0.0031 0.0977 0.1178
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0505 0.1431
Loa Loa (eye worm) hypothetical protein 0.0074 0.2822 0.2822
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0639 0.6403
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0384 0.3927
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0089 0.3469 0.3444
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0307 0.027
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0977 0.6999
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0307 0.027
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.049 0.5016
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0032 0.1042 1
Schistosoma mansoni rab6-interacting 0.0015 0.0307 0.0307
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.1627 0.1627
Schistosoma mansoni lipoxygenase 0.0062 0.2326 0.2326
Schistosoma mansoni DNA helicase recq1 0.0015 0.0316 0.0316
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.2989 0.2963
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0031 0.0977 0.5914
Brugia malayi beta-lactamase 0.0031 0.0977 0.394
Onchocerca volvulus 0.0031 0.0977 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0015 0.0316 0.0279
Echinococcus granulosus beta LACTamase domain containing family member 0.0031 0.0977 0.0943
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0017 0.0384 0.105
Echinococcus multilocularis importin subunit beta 1 0.0023 0.0639 0.0604
Loa Loa (eye worm) cytochrome P450 0.0009 0.0038 0.0038
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0089 0.3469 0.3444
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0017 0.0384 0.1152
Echinococcus multilocularis snurportin 1 0.0241 1 1
Loa Loa (eye worm) beta-lactamase 0.0031 0.0977 0.0977
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0015 0.0316 0.0279
Mycobacterium ulcerans beta-lactamase 0.0031 0.0977 0.5914
Loa Loa (eye worm) hypothetical protein 0.0031 0.0977 0.0977
Loa Loa (eye worm) doublecortin family protein 0.0015 0.0307 0.0307
Mycobacterium tuberculosis Probable esterase LipL 0.0031 0.0977 0.1178
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.4687 0.4667
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.2989 0.2963

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-cyp2c9 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.891250938 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
AC50 (functional) = 12.58925412 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) = 31.6227766 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
EC50 (functional) 1.884 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.2753 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) = 15.8489 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) 22.3872 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

External resources for this compound

Bibliographic References

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