Detailed information for compound 1409104

Basic information

Technical information
  • TDR Targets ID: 1409104
  • Name: 2-(4-oxo-5-propylpyridazino[5,4-b]indol-3-yl) acetic acid
  • MW: 285.298 | Formula: C15H15N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c2ccccc2c2c1c(=O)n(nc2)CC(=O)O
  • InChi: 1S/C15H15N3O3/c1-2-7-17-12-6-4-3-5-10(12)11-8-16-18(9-13(19)20)15(21)14(11)17/h3-6,8H,2,7,9H2,1H3,(H,19,20)
  • InChiKey: RZRBQWXPGLWHCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-oxo-5-propyl-pyridazino[5,4-b]indol-3-yl)acetic acid
  • 2-(4-oxo-5-propyl-3-pyridazino[5,4-b]indolyl)acetic acid
  • 2-(4-keto-5-propyl-pyridazino[5,4-b]indol-3-yl)acetic acid
  • 2-(4-oxo-5-propyl-pyridazino[5,4-b]indol-3-yl)ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni serine/threonine protein kinase 0.0978 0.3469 0.3427
Onchocerca volvulus 0.0579 0.1944 0.3681
Schistosoma mansoni protein kinase C 0.0237 0.0638 0.0578
Schistosoma mansoni tyrosine kinase 0.2688 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Schistosoma mansoni serine/threonine protein kinase 0.023 0.0608 0.0548
Brugia malayi diacylglycerol kinase 0.0211 0.0538 0.0739
Onchocerca volvulus 0.0273 0.0773 0.1405
Echinococcus granulosus c src tyrosine kinase 0.0087 0.0064 0.0014
Loa Loa (eye worm) hypothetical protein 0.0409 0.1293 0.1944
Echinococcus multilocularis N chimaerin 0.0276 0.0787 0.0741
Schistosoma mansoni serine/threonine protein kinase 0.022 0.0572 0.0512
Schistosoma mansoni unc-13 (munc13) 0.0237 0.0638 0.0578
Echinococcus multilocularis c src tyrosine kinase 0.0087 0.0064 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0978 0.3469 0.3427
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0276 0.0787 0.0728
Loa Loa (eye worm) hypothetical protein 0.0237 0.0638 0.0959
Echinococcus multilocularis tyrosine protein kinase Abl 0.0087 0.0064 0.0014
Echinococcus multilocularis protein kinase c iota type 0.0544 0.1808 0.1767
Brugia malayi Protein kinase c protein 2 0.0655 0.2233 0.3307
Brugia malayi protein kinase C3,putative 0.022 0.0572 0.0791
Entamoeba histolytica diacylglycerol kinase, putative 0.0211 0.0538 0.2103
Brugia malayi Protein kinase domain containing protein 0.0334 0.1009 0.1452
Loa Loa (eye worm) TK protein kinase 0.0084 0.005 0.0075
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0332 0.1001 0.0955
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.0546 0.0821
Echinococcus granulosus myotubularin protein 13 0.0213 0.0546 0.0498
Brugia malayi Pleckstrin Homology Domain 0.0213 0.0546 0.0751
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0087 0.0064 0.0014
Schistosoma mansoni hypothetical protein 0.0211 0.0538 0.0477
Schistosoma mansoni tyrosine kinase 0.0189 0.0454 0.0393
Onchocerca volvulus 0.0237 0.0638 0.1141
Loa Loa (eye worm) hypothetical protein 0.0275 0.0781 0.1174
Echinococcus granulosus tyrosine protein kinase Lyn 0.0096 0.0098 0.0048
Echinococcus granulosus rho-associated protein kinase 1 0.0588 0.1978 0.1938
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0237 0.0638 0.059
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0087 0.0064 0.0014
Schistosoma mansoni vav2 0.0279 0.0795 0.0736
Echinococcus granulosus protein kinase C gamma type 0.0767 0.2662 0.2625
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0087 0.0064 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0332 0.1001 0.0943
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0332 0.1001 0.0955
Mycobacterium ulcerans hypothetical protein 0.0192 0.0465 0.5
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0332 0.1001 0.1505
Echinococcus multilocularis protein kinase c eta type 0.0211 0.0538 0.049
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0093 0.0088 0.0132
Schistosoma mansoni tyrosine kinase 0.2623 0.9751 0.9749
Brugia malayi Protein kinase domain containing protein 0.0163 0.0354 0.0461
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.022 0.0572 0.086
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0332 0.1001 0.0955
Entamoeba histolytica protein kinase, putative 0.0334 0.1009 0.3992
Loa Loa (eye worm) thyroid receptor interactor 0.0288 0.0832 0.1251
Echinococcus granulosus N chimaerin 0.0276 0.0787 0.0741
Schistosoma mansoni diacylglycerol kinase theta 0.0211 0.0538 0.0477
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0087 0.0064 0.0014
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0465 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1285 0.464 0.4606
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0087 0.0064 0.0014
Echinococcus multilocularis serine:threonine protein kinase N2 0.0514 0.1696 0.1654
Entamoeba histolytica PH domain containing protein kinase, putative 0.0726 0.2506 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0237 0.0638 0.059
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.022 0.0572 0.0525
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Schistosoma mansoni serine/threonine protein kinase 0.022 0.0572 0.0512
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Brugia malayi Protein kinase domain containing protein 0.022 0.0572 0.0791
Loa Loa (eye worm) AGC/NDR protein kinase 0.0332 0.1001 0.1505
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0332 0.1001 0.1505
Toxoplasma gondii AGC kinase 0.0332 0.1001 1
Echinococcus granulosus protein kinase c epsilon type 0.1285 0.464 0.4613
Schistosoma mansoni serine/threonine protein kinase 0.0588 0.1978 0.1927
Echinococcus granulosus serine:threonine protein kinase N2 0.0514 0.1696 0.1654
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0087 0.0064 0.0014
Schistosoma mansoni rac gtpase activating protein 0.0211 0.0538 0.0477
Echinococcus granulosus raf serine:threonine protein kinase 0.023 0.0608 0.0561
Onchocerca volvulus 0.0588 0.1978 0.3747
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.1812 0.6651 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0978 0.3469 0.3436
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Brugia malayi RhoGAP domain containing protein 0.0276 0.0787 0.1117
Loa Loa (eye worm) hypothetical protein 0.062 0.21 0.3157
Echinococcus granulosus tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Brugia malayi Ras association domain family 1 isoform A 0.0211 0.0538 0.0739
Entamoeba histolytica hypothetical protein 0.0211 0.0538 0.2103
Echinococcus granulosus tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0193 0.0468 0.042
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0332 0.1001 0.0955
Onchocerca volvulus 0.0275 0.0781 0.142
Schistosoma mansoni protein kinase C mu 0.0282 0.0807 0.0748
Echinococcus multilocularis Rac GTPase activating protein 1 0.0211 0.0538 0.049
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0087 0.0064 0.0014
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0332 0.1001 0.0955
Loa Loa (eye worm) hypothetical protein 0.1763 0.6466 0.9722
Echinococcus multilocularis serine:threonine protein kinase 38 0.0332 0.1001 0.0955
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.005 0.0075
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1124 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0211 0.0538 0.0809
Echinococcus multilocularis protein kinase c epsilon type 0.1285 0.464 0.4613
Echinococcus granulosus tyrosine protein kinase Src64B 0.0087 0.0064 0.0014
Entamoeba histolytica protein kinase, putative 0.0332 0.1001 0.396
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0276 0.0787 0.0728
Loa Loa (eye worm) hypothetical protein 0.1431 0.5196 0.7813
Echinococcus multilocularis serine threonine protein kinase 0.0767 0.2662 0.2625
Loa Loa (eye worm) AGC/PKN protein kinase 0.0847 0.2965 0.4458
Brugia malayi RhoGEF domain containing protein 0.0211 0.0538 0.0739
Echinococcus granulosus tyrosine protein kinase Src42A 0.0087 0.0064 0.0014
Echinococcus granulosus serine:threonine protein kinase N2 0.0847 0.2965 0.293
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1124 1
Brugia malayi SRC-1 0.0087 0.0064 0.0021
Loa Loa (eye worm) STE/STE20/SLK protein kinase 0.0163 0.0354 0.0533
Entamoeba histolytica protein kinase, putative 0.0334 0.1009 0.3992
Schistosoma mansoni protein kinase C mu 0.0211 0.0538 0.0477
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0276 0.0787 0.0741
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0332 0.1001 0.1505
Brugia malayi Fes/CIP4 homology domain containing protein 0.0288 0.0832 0.1185
Echinococcus multilocularis rho associated protein kinase 0.0588 0.1978 0.1938
Schistosoma mansoni diacylglycerol kinase theta 0.0211 0.0538 0.0477
Echinococcus granulosus protein kinase c iota type 0.0544 0.1808 0.1767
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.022 0.0572 0.0525
Schistosoma mansoni serine/threonine protein kinase 0.0332 0.1001 0.0943
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Schistosoma mansoni protein kinase 0.0163 0.0354 0.0292
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0332 0.1001 0.1505
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Loa Loa (eye worm) hypothetical protein 0.0273 0.0773 0.1162
Entamoeba histolytica diacylglycerol kinase, putative 0.0211 0.0538 0.2103
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Brugia malayi Variant SH3 domain containing protein 0.0276 0.0787 0.1117
Brugia malayi Protein kinase domain containing protein 0.0332 0.1001 0.144
Echinococcus granulosus unc 13 munc13 0.0237 0.0638 0.059
Brugia malayi Variant SH3 domain containing protein 0.0093 0.0088 0.0057
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0276 0.0787 0.1184
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Loa Loa (eye worm) SRC-1 0.0087 0.0064 0.0096
Echinococcus granulosus Diacylglycerol kinase theta 0.0211 0.0538 0.049
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0087 0.0064 0.0014
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0084 0.005 0.0144
Echinococcus granulosus RNA directed DNA polymerase 0.0409 0.1293 0.1249
Onchocerca volvulus 0.1431 0.5196 1
Echinococcus granulosus NDR protein kinase 0.0332 0.1001 0.0955
Echinococcus granulosus serine:threonine protein kinase N2 0.0724 0.2498 0.246
Echinococcus multilocularis raf serine:threonine protein kinase 0.023 0.0608 0.0561
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Echinococcus granulosus protein kinase c eta type 0.0211 0.0538 0.049
Loa Loa (eye worm) hypothetical protein 0.0445 0.1432 0.2153
Brugia malayi Protein kinase domain containing protein 0.1812 0.6651 1
Loa Loa (eye worm) hypothetical protein 0.1431 0.5196 0.7813
Schistosoma mansoni serine/threonine kinase 0.0332 0.1001 0.0943
Brugia malayi C1-like domain containing protein 0.0282 0.0807 0.1147
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Echinococcus multilocularis STE20 serine:threonine protein kinase 0.0454 0.1466 0.1423
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0332 0.1001 0.0955
Entamoeba histolytica protein kinase, putative 0.0332 0.1001 0.396
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0282 0.0807 0.1213
Trypanosoma brucei rac serine-threonine kinase, putative 0.0334 0.1009 0.8426
Echinococcus granulosus STE20 serine:threonine protein kinase 0.0454 0.1466 0.1423
Echinococcus granulosus tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Loa Loa (eye worm) hypothetical protein 0.1431 0.5196 0.7813
Brugia malayi Protein kinase domain containing protein 0.0332 0.1001 0.144
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Schistosoma mansoni atypical protein kinase C 0.0544 0.1808 0.1755
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Brugia malayi p70 ribosomal S6 kinase beta 0.0332 0.1001 0.144
Echinococcus multilocularis myotubularin protein 13 0.0213 0.0546 0.0498
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1285 0.464 0.6976
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Echinococcus granulosus Rac GTPase activating protein 1 0.0211 0.0538 0.049
Schistosoma mansoni unc-13 (munc13) 0.0237 0.0638 0.0578
Trichomonas vaginalis AGC family protein kinase 0.0332 0.1001 0.8109
Brugia malayi Hr1 repeat family protein 0.0847 0.2965 0.4416
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0276 0.0787 0.0741
Echinococcus multilocularis unc 13 (munc13) 0.0237 0.0638 0.059
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0444 0.1426 0.2144
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1124 1
Brugia malayi diacylglycerol kinase 0.0211 0.0538 0.0739
Echinococcus multilocularis serine:threonine protein kinase N2 0.0847 0.2965 0.293
Schistosoma mansoni serine/threonine protein kinase 0.0847 0.2965 0.292
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0211 0.0538 0.0809
Trichomonas vaginalis AGC family protein kinase 0.0332 0.1001 0.8109
Trichomonas vaginalis AGC family protein kinase 0.0332 0.1001 0.8109
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0193 0.0468 0.042
Echinococcus multilocularis serine:threonine protein kinase N2 0.1048 0.3734 0.3702
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0282 0.0807 0.1147
Brugia malayi protein kinase C II. 0.1285 0.464 0.6953
Brugia malayi Tyrosine-protein kinase abl-1 0.0087 0.0064 0.0021
Loa Loa (eye worm) RasGEF domain-containing protein 0.0211 0.0538 0.0809
Echinococcus multilocularis Diacylglycerol kinase theta 0.0211 0.0538 0.049
Loa Loa (eye worm) AGC/AKT protein kinase 0.0334 0.1009 0.1517
Echinococcus multilocularis RNA directed DNA polymerase 0.0409 0.1293 0.1249
Brugia malayi RhoGAP domain containing protein 0.0211 0.0538 0.0739
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0087 0.0064 0.0014
Loa Loa (eye worm) raf kinase 0.0211 0.0538 0.0809
Loa Loa (eye worm) TK/FER protein kinase 0.0084 0.005 0.0075
Schistosoma mansoni serine/threonine protein kinase 0.0332 0.1001 0.0943
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0409 0.1293 0.1249
Loa Loa (eye worm) hypothetical protein 0.0211 0.0538 0.0809
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1
Echinococcus multilocularis tyrosine protein kinase shark 0.2688 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0084 0.005 0.0075
Loa Loa (eye worm) hypothetical protein 0.1642 0.6004 0.9026
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0978 0.3469 0.3436
Trichomonas vaginalis AGC family protein kinase 0.0334 0.1009 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 89.1251 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

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.
 
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

No literature references available for this target.

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