Detailed information for compound 2075152

Basic information

Technical information
  • TDR Targets ID: 2075152
  • Name: 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carbo xylic acid
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 1 H acceptors: 4 LogP: 2.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cnn(c1C1CC1)c1cccc2c1cccn2
  • InChi: 1S/C16H13N3O2/c20-16(21)12-9-18-19(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-17-13/h1-5,8-10H,6-7H2,(H,20,21)
  • InChiKey: WSLKLYKPUZWAQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cyclopropyl-1-(5-quinolyl)pyrazole-4-carboxylic acid
  • 5-cyclopropyl-1-(5-quinolyl)-4-pyrazolecarboxylic acid
  • 5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) calcium channel 0.006 0.0193 0.0928
Echinococcus multilocularis lamin 0.003 0.0023 0.016
Mycobacterium leprae AMIDOPHOSPHORIBOSYLTRANSFERASE PURF (GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE) (ATASE) (GPATASE) 0.0066 0.0228 0.0388
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0066 0.0228 0.0218
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Toxoplasma gondii orotate phosphoribosyltransferase 0.0066 0.0228 0.1523
Echinococcus granulosus adenine phosphoribosyltransferase 0.0066 0.0228 0.1585
Schistosoma mansoni intermediate filament proteins 0.003 0.0023 0.0086
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0066 0.0228 0.1585
Echinococcus granulosus lamin dm0 0.003 0.0023 0.016
Brugia malayi jmjC domain containing protein 0.0065 0.0218 0.1055
Entamoeba histolytica hypothetical protein 0.003 0.0025 0.7467
Trichomonas vaginalis conserved hypothetical protein 0.103 0.56 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0218 0.145
Giardia lamblia Guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.006 0.0193 0.134
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0027 0.0011 0.0074
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0588 0.3139 0.5577
Loa Loa (eye worm) hypothetical protein 0.038 0.1976 1
Plasmodium falciparum basic transcription factor 3b, putative 0.003 0.0025 0.01
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0218 0.1513
Echinococcus multilocularis musashi 0.003 0.0023 0.016
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0066 0.0228 0.0388
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0893 0.4835 0.8601
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0025 0.0026
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0023 0.0063
Mycobacterium ulcerans lipoprotein LpqF 0.014 0.0638 0.0696
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.103 0.56 0.9965
Loa Loa (eye worm) hypothetical protein 0.038 0.1976 1
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0066 0.0228 0.0218
Plasmodium vivax basic transcription factor 3b, putative 0.003 0.0025 0.01
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.0218 0.1513
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.103 0.56 0.6201
Entamoeba histolytica transcription factor BTF3, putative 0.003 0.0025 0.7467
Loa Loa (eye worm) hypothetical protein 0.003 0.0023 0.0063
Mycobacterium tuberculosis Conserved hypothetical protein 0.0066 0.0228 0.0388
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0175 0.0833 0.1467
Entamoeba histolytica hypothetical protein 0.0031 0.003 1
Brugia malayi hypothetical protein 0.0134 0.0603 0.3016
Loa Loa (eye worm) hypothetical protein 0.0349 0.1801 0.9111
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0312 0.1598 0.2831
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Mycobacterium tuberculosis Conserved protein 0.0066 0.0228 0.0388
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0066 0.0228 0.1523
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0066 0.0228 0.0242
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus multilocularis zinc phosphodiesterase 0.0027 0.0011 0.0074
Giardia lamblia Adenine phosphoribosyltransferase 0.0066 0.0228 0.1523
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0588 0.3139 0.3471
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.006 0.0193 0.134
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0066 0.0228 0.1108
Onchocerca volvulus 0.038 0.1976 1
Echinococcus multilocularis transcription factor btf3 0.003 0.0025 0.0173
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus granulosus zinc phosphodiesterase 0.0027 0.0011 0.0074
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trichomonas vaginalis set domain proteins, putative 0.0185 0.0891 0.1575
Echinococcus multilocularis voltage dependent calcium channel 0.006 0.0193 0.134
Echinococcus granulosus ETHE1 protein 0.0027 0.0011 0.0074
Echinococcus granulosus voltage dependent calcium channel 0.006 0.0193 0.134
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0175 0.0833 0.1467
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.006 0.0193 0.134
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0218 0.1055
Onchocerca volvulus 0.0185 0.0891 0.4478
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0025 0.01
Schistosoma mansoni voltage-gated cation channel 0.006 0.0193 0.1275
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.006 0.0193 0.134
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trypanosoma brucei beta lactamase 0.014 0.0638 0.4388
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0218 0.1513
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0218 0.145
Entamoeba histolytica hypothetical protein 0.0031 0.003 1
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0175 0.0833 0.0913
Loa Loa (eye worm) hypothetical protein 0.006 0.0193 0.0928
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0025 0.0026
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0066 0.0228 0.0388
Mycobacterium leprae PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE) 0.0066 0.0228 0.0388
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0027 0.0011 0.0074
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.1033 0.562 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0066 0.0228 0.1523
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1644 0.9024 1
Schistosoma mansoni lamin 0.003 0.0023 0.0086
Treponema pallidum hypothetical protein 0.0175 0.0833 0.0824
Treponema pallidum penicillin-binding protein (pbp-1) 0.1817 0.9988 0.9988
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.006 0.0193 0.134
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.003 0.0134
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0066 0.0228 0.1108
Brugia malayi hypothetical protein 0.038 0.1976 1
Echinococcus multilocularis lamin dm0 0.003 0.0023 0.016
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 0.2559
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0066 0.0228 0.1523
Loa Loa (eye worm) hypothetical protein 0.0029 0.002 0.0047
Echinococcus granulosus lamin 0.003 0.0023 0.016
Brugia malayi Adenine phosphoribosyltransferase 0.0066 0.0228 0.1108
Echinococcus granulosus transcription factor btf3 0.003 0.0025 0.0173
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Schistosoma mansoni lozenge 0.0048 0.0123 0.0789
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.0218 0.1513
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0217 0.107 0.1889
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0037 0.0062 0.0357
Trypanosoma brucei transcription factor BTF3, putative 0.003 0.0025 0.01
Chlamydia trachomatis transglycolase/transpeptidase 0.1817 0.9988 1
Treponema pallidum penicillin-binding protein (pbp-2) 0.103 0.56 0.5595
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0588 0.3139 0.5577
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.003 0.0207
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0023 0.0063
Schistosoma mansoni hypothetical protein 0.0031 0.003 0.0134
Onchocerca volvulus 0.0284 0.1441 0.7277
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.006 0.0193 0.1275
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0066 0.0228 0.039
Echinococcus multilocularis voltage dependent calcium channel 0.006 0.0193 0.134
Entamoeba histolytica hypothetical protein 0.0031 0.003 1
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0066 0.0228 0.0388
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.014 0.0638 0.1119
Mycobacterium ulcerans hypothetical protein 0.0066 0.0228 0.0242
Brugia malayi beta-NAC-like protein 0.003 0.0025 0.0073
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0027 0.0011 0.0074
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0027 0.0011 0.0074
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0438 0.2299 0.408
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0292 0.1484 0.2626
Brugia malayi Pre-SET motif family protein 0.0163 0.0765 0.384
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.003 0.0207
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0066 0.0228 0.1523
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.006 0.0193 0.134
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.006 0.0193 0.1275
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0066 0.0228 0.1108
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Schistosoma mansoni uracil phosphoribosyltransferase 0.0066 0.0228 0.1523
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0292 0.1484 0.1634
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0037 0.0062 0.0357
Loa Loa (eye worm) ICD-1 protein 0.003 0.0025 0.0073
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1817 0.9988 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Treponema pallidum adenine phosphoribosyltransferase 0.0066 0.0228 0.0218
Schistosoma mansoni lamin 0.003 0.0023 0.0086
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0218 0.145
Treponema pallidum hypothetical protein 0.0066 0.0228 0.0218
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1033 0.562 0.6223
Loa Loa (eye worm) runx1 0.0048 0.0123 0.0574
Echinococcus multilocularis Protein lozenge 0.0048 0.0123 0.0857
Onchocerca volvulus 0.003 0.0023 0.0063
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0893 0.4835 0.5352
Brugia malayi hypothetical protein 0.0031 0.003 0.0097
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus granulosus intermediate filament protein 0.003 0.0023 0.016
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0027 0.0011 0.0074
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0284 0.1441 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0284 0.1441 1
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0066 0.0228 0.0242
Leishmania major adenine phosphoribosyltransferase 0.0066 0.0228 0.1523
Brugia malayi orotate phosphoribosyltransferase family protein 0.0066 0.0228 0.1108
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0284 0.1441 1
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0066 0.0228 0.0388
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0284 0.1441 1
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0066 0.0228 0.0242
Brugia malayi jmjC domain containing protein 0.0065 0.0218 0.1055
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0066 0.0228 0.1523
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0066 0.0228 0.1523
Chlamydia trachomatis transglycolase/transpeptidase 0.0861 0.4657 0.4657
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0163 0.0765 0.384
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.014 0.0638 0.1119
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0066 0.0228 0.0218
Brugia malayi intermediate filament protein 0.003 0.0023 0.0063
Echinococcus multilocularis ETHE1 protein 0.0027 0.0011 0.0074
Leishmania major xanthine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0284 0.1441 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.006 0.0193 0.134
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0027 0.0011 0.0074
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0893 0.4835 0.8601
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0066 0.0228 0.039
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0066 0.0228 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0025 0.0026
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0066 0.0228 0.1585
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0438 0.2299 0.408
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0023 0.0063
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0284 0.1441 0.7277
Mycobacterium tuberculosis Conserved protein 0.0066 0.0228 0.0388
Entamoeba histolytica hypothetical protein 0.0031 0.003 1
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Leishmania major basic transcription factor 3a, putative 0.003 0.0025 0.01
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Echinococcus granulosus uridine 5' monophosphate synthase 0.0066 0.0228 0.1585
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0066 0.0228 0.1523
Toxoplasma gondii NAC domain-containing protein 0.003 0.0025 0.01
Plasmodium falciparum orotate phosphoribosyltransferase 0.0066 0.0228 0.1523
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.006 0.0193 0.0928
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0284 0.1441 0.1587
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1033 0.562 1
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0025 0.01
Schistosoma mansoni transcription factor btf3 0.003 0.0025 0.01
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0217 0.107 0.1889
Onchocerca volvulus 0.003 0.0023 0.0063

Activities

Activity type Activity value Assay description Source Reference
T1/2 (ADMET) = 120 min Half life in human liver S9 fraction assessed as aldehyde oxidase-mediated 2-oxo-metabolite formation at 1 uM by spectrometry ChEMBL. 22587988

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

1 literature reference was collected for this gene.

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