Detailed information for compound 428444

Basic information

Technical information
  • TDR Targets ID: 428444
  • Name: 6-[(4-fluorophenyl)sulfonylamino]-2-methoxy-3 -(1H-pyrazol-4-yl)benzoic acid
  • MW: 391.374 | Formula: C17H14FN3O5S
  • H donors: 3 H acceptors: 5 LogP: 2.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C(=O)O)c(ccc1c1c[nH]nc1)NS(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C17H14FN3O5S/c1-26-16-13(10-8-19-20-9-10)6-7-14(15(16)17(22)23)21-27(24,25)12-4-2-11(18)3-5-12/h2-9,21H,1H3,(H,19,20)(H,22,23)
  • InChiKey: APQZTVXXAJMOKS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus multilocularis methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania mexicana methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Neospora caninum hypothetical protein Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium yoelii methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania braziliensis methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Toxoplasma gondii methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium knowlesi methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Echinococcus granulosus methionyl aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania major methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Brugia malayi initiation factor 2-associated protein. Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei gambiense methionine aminopeptidase 2, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Giardia lamblia Methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium parvum methionine aminopeptidase, type II, putative , an1 domain Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium vivax methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Loa Loa (eye worm) initiation factor 2-associated protein Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma congolense metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania infantum methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Babesia bovis methionine aminopeptidase, type II family protein Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Entamoeba histolytica methionine aminopeptidase, putative Get druggable targets OG5_127231 All targets in OG5_127231
Candida albicans methionine aminopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium berghei methionine aminopeptidase 2, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231
Cryptosporidium hominis methionine aminopeptidase, type II Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Onchocerca volvulus Methionine aminopeptidase 2 homolog Get druggable targets OG5_127231 All targets in OG5_127231
Leishmania donovani metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_127231 All targets in OG5_127231
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_127231 All targets in OG5_127231
Plasmodium falciparum methionine aminopeptidase 2 Get druggable targets OG5_127231 All targets in OG5_127231
Theileria parva methionine aminopeptidase, type II, putative Get druggable targets OG5_127231 All targets in OG5_127231
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase Get druggable targets OG5_127231 All targets in OG5_127231

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
Onchocerca volvulus 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0322 0.5946 0.5946
Onchocerca volvulus 0.0322 0.5946 0.5946
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0089 0 0.5
Leishmania major cathepsin L-like protease 0.0481 1 1
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Brugia malayi cathepsin F-like cysteine proteinase 0.0159 0.1791 0.1791
Entamoeba histolytica cysteine proteinase, putative 0.0248 0.4054 0.4054
Giardia lamblia Hypothetical protein 0.0089 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0481 1 1
Onchocerca volvulus Cathepsin F homolog 0.0481 1 1
Giardia lamblia Cathepsin L-like protease 0.0089 0 0.5
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Giardia lamblia Hypothetical protein 0.0089 0 0.5
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Plasmodium vivax vivapain-2 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0248 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Onchocerca volvulus 0.0481 1 1
Echinococcus multilocularis cysteine protease 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Echinococcus granulosus cathepsin l1 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0248 0.4054 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0481 1 1
Giardia lamblia Cysteine protease 0.0089 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 0.1791 0.1791
Echinococcus multilocularis cathepsin L cysteine protease 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0322 0.5946 0.5946
Giardia lamblia Cathepsin L-like protease 0.0089 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 0.1791 0.1791
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Echinococcus granulosus cysteine protease 0.0248 0.4054 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0481 1 1
Loa Loa (eye worm) ctsf protein 0.0481 1 1
Loa Loa (eye worm) cysteine protease 0.0481 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0159 0.1791 0.1791
Entamoeba histolytica cysteine proteinase, putative 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0322 0.5946 0.5946
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0089 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0481 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0248 0.4054 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0248 0.4054 0.4054
Plasmodium vivax vivapain-2 0.0481 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0481 1 1
Onchocerca volvulus Cathepsin L homolog 0.0481 1 1
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Plasmodium falciparum cysteine proteinase falcipain 1 0.0248 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0248 0.4054 0.4054
Trypanosoma cruzi cysteine protease, putative 0.0248 0.4054 0.4054
Plasmodium vivax unspecified product 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0248 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0248 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Onchocerca volvulus Cathepsin L homolog 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.0159 0.1791 0.1791
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0481 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0248 0.4054 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0248 0.4054 0.4054
Leishmania major cathepsin L-like protease 0.0481 1 1
Leishmania major cathepsin L-like protease 0.0481 1 1
Leishmania major cathepsin L-like protease 0.0481 1 1
Echinococcus multilocularis cathepsin L 0.0248 0.4054 0.4054
Entamoeba histolytica cysteine proteinase 2 0.0248 0.4054 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0248 0.4054 0.4054
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Trypanosoma cruzi cysteine proteinase, putative 0.0248 0.4054 0.4054
Giardia lamblia Cysteine protease 0.0089 0 0.5
Onchocerca volvulus 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0481 1 1
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0322 0.5946 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Leishmania major cathepsin L-like protease 0.0481 1 1
Onchocerca volvulus 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0481 1 1
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Leishmania major cathepsin L-like protease 0.0481 1 1
Plasmodium vivax vivapain-3 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0481 1 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.5946 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.0248 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0159 0.1791 0.1791
Loa Loa (eye worm) hypothetical protein 0.0481 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.1791 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0248 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0481 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0481 1 1
Giardia lamblia Cysteine protease 0.0089 0 0.5
Brugia malayi Cathepsin L-like precursor 0.0481 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Echinococcus granulosus cathepsin L 0.0248 0.4054 0.4054
Brugia malayi Cathepsin L-like precursor 0.0322 0.5946 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Plasmodium vivax vivapain-1 0.0248 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Schistosoma mansoni cathepsin s 0.0159 0.1791 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0481 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0089 0 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0481 1 1
Plasmodium vivax unspecified product 0.0159 0.1791 0.1791
Loa Loa (eye worm) hypothetical protein 0.0322 0.5946 0.5946
Toxoplasma gondii cathepsin CPL 0.0481 1 1
Loa Loa (eye worm) fibroinase 0.0481 1 1
Giardia lamblia Cathepsin L precursor 0.0089 0 0.5
Leishmania major cathepsin L-like protease 0.0481 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0248 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Onchocerca volvulus 0.0481 1 1
Brugia malayi Cathepsin L-like precursor 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0322 0.5946 0.5946
Onchocerca volvulus 0.0481 1 1
Giardia lamblia Encystation-specific protease 0.0089 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0248 0.4054 0.4054
Leishmania major cathepsin L-like protease 0.0481 1 1
Giardia lamblia Cysteine protease 0.0089 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0089 0 0.5
Echinococcus granulosus cathepsin l1 0.0322 0.5946 0.5946
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0248 0.4054 0.4054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0322 0.5946 0.5946
Brugia malayi Papain family cysteine protease containing protein 0.0481 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0089 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0248 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0322 0.5946 0.5946
Echinococcus multilocularis cysteine protease 0.0481 1 1
Entamoeba histolytica cysteine protease, putative 0.0248 0.4054 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0159 0.1791 0.1791
Trypanosoma cruzi cysteine peptidase, putative 0.0159 0.1791 0.1791
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0481 1 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.5946 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0481 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0481 1 1
Brugia malayi cathepsin L-like precursor 0.0322 0.5946 0.5946
Leishmania major cysteine peptidase A (CPA) 0.0481 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0481 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 uM Inhibition of MetAP2 ChEMBL. 17350258
IC50 (binding) = 0.28 uM Inhibition of MetAP2 ChEMBL. 17350258
IC50 (binding) = 14 uM Inhibition of MetAP2 in presence of 40 mg/ml HSA ChEMBL. 17350258
IC50 (binding) = 14 uM Inhibition of MetAP2 in presence of 40 mg/ml HSA ChEMBL. 17350258

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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