Detailed information for compound 18056

Basic information

Technical information
  • TDR Targets ID: 18056
  • Name: 4-(aminomethyl)-6-tert-butyl-2-iodopyridin-3- ol
  • MW: 306.143 | Formula: C10H15IN2O
  • H donors: 2 H acceptors: 2 LogP: 2.3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1cc(nc(c1O)I)C(C)(C)C
  • InChi: 1S/C10H15IN2O/c1-10(2,3)7-4-6(5-12)8(14)9(11)13-7/h4,14H,5,12H2,1-3H3
  • InChiKey: CDZNKTBCUPOYGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(aminomethyl)-6-tert-butyl-2-iodo-pyridin-3-ol
  • 4-(aminomethyl)-6-tert-butyl-2-iodo-3-pyridinol
  • 4-(aminomethyl)-6-(1,1-dimethylethyl)-2-iodo-3-pyridinol
  • 69213-46-3
  • 3-Pyridinol, 4-(aminomethyl)-6-(1,1-dimethylethyl)-2-iodo-
  • Amdmeip

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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0371 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.0949 0.9731
Onchocerca volvulus 0.0134 0.0895 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.0018 0.0053 0.1438
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0371 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0371 0.5
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 0.1382 1 1
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) 0.1382 1 1
Toxoplasma gondii dihydropteroate synthase 0.1382 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0975 1
Schistosoma mansoni atypical protein kinase C 0.0018 0.0053 0.1438
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 0.1382 1 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0.0371 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0371 0.3806
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0371 1
Echinococcus granulosus protein kinase c iota type 0.0018 0.0053 0.1438
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0018 0.0053 0.0547
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0371 0.0371
Echinococcus multilocularis protein kinase c epsilon type 0.0018 0.0053 0.1438
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0371 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0053 0.1438
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 0.1382 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0053 0.1438
Entamoeba histolytica protein kinase, putative 0.0011 0 0.5
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) 0.1382 1 1
Brugia malayi protein kinase C II. 0.0018 0.0053 0.1438
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0371 0.5
Entamoeba histolytica protein kinase, putative 0.0011 0 0.5
Entamoeba histolytica protein kinase, putative 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.0895 0.9184
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0371 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0018 0.0053 0.1438
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0371 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0895 0.9184
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0371 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0053 0.1438
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0371 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0371 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0895 0.9184
Echinococcus granulosus protein kinase c epsilon type 0.0018 0.0053 0.1438
Entamoeba histolytica protein kinase, putative 0.0011 0 0.5
Echinococcus multilocularis protein kinase c iota type 0.0018 0.0053 0.1438
Leishmania major methionine synthase, putative 0.0509 0.3634 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0371 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0371 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0371 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0371 1
Brugia malayi MAP kinase sur-1 0.0062 0.0371 1

Activities

Activity type Activity value Assay description Source Reference
Diuretic effects (functional) = 48 The saluretic(K+) effect of compound was measured in dogs after iv administration at 3 mg/kg dose; K+mequiv/min=20 ChEMBL. 7205867
Diuretic effects (functional) = 51 The saluretic(K+) effect of compound was measured in rats after oral administration at 3 mg/kg dose ChEMBL. 7205867
Diuretic effects (functional) = 63 The saluretic(K+) effect of compound was measured in rats after oral administration at 27 mg/kg dose; K+mequiv*100/cage=14 ChEMBL. 7205867
Diuretic effects (functional) = 83 The saluretic(K+) effect of compound was measured in rats after oral administration at 27 mg/kg dose; K+mequiv*100/cage=14 ChEMBL. 7205867
Diuretic effects (functional) = 108 The saluretic(K+) effect of compound was measured in rats after oral administration at 81 mg/kg dose. ChEMBL. 7205867
Diuretic effects (functional) = 178 Saluretic(Na+) effect of compound was measured in rats after oral administration at 3 mg/kg dose; Na+ mequiv*100/cage ChEMBL. 7205867
Diuretic effects (functional) = 224 The saluretic (Na+) effect of compound was measured in rats after oral administration at 27 mg/kg dose; Na+ mequiv*100/cage ChEMBL. 7205867
Diuretic effects (functional) = 276 The saluretic(Na+) effect of compound was measured in rats after oral administration at 27 mg/kg dose; Na+ mequiv*100/cage ChEMBL. 7205867
Diuretic effects (functional) = 279 The saluretic(Cl-) effect of compound was measured in rats after oral administration at 3 mg/kg dose ChEMBL. 7205867
Diuretic effects (functional) = 330 The saluretic (Na+)effect of compound was measured in rats after oral administration at 81 mg/kg dose ChEMBL. 7205867
Diuretic effects (functional) = 351 The saluretic(Cl-) effect of compound was measured in rats after oral administration at 27 mg/kg dose; Cl-mequiv*100/cage=14 ChEMBL. 7205867
Diuretic effects (functional) = 444 The saluretic(Cl-) effect of compound was measured in rats after oral administration at 27 mg/kg dose; Cl-mequiv*100/cage=14 ChEMBL. 7205867
Diuretic effects (functional) = 528 The saluretic(Cl-) effect of compound was measured in rats after oral administration at 81 mg/kg dose. ChEMBL. 7205867
Diuretic effects (functional) = 611 The saluretic(Na+) effect of compound was measured in dogs after iv administration at 3 mg/kg dose; Na+ mequiv/min=279 ChEMBL. 7205867
Diuretic effects (functional) = 729 The saluretic(Cl-) effect of compound was measured in dogs after iv administration at 3 mg/kg dose; Cl-mequiv/min=303 ChEMBL. 7205867
Duration (functional) > 24 hr Duration of effect was measured in hypertensive rat . ChEMBL. 7205867
Max fall (functional) = 13 mmHg Mean arterial pressure was measured in hypertensive rat at dose of 20mg/kg,po ChEMBL. 7205867
Max fall (functional) = 61 mmHg Mean arterial pressure was measured in hypertensive rat at dose of 20mg/kg,ip ChEMBL. 7205867

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

1 literature reference was collected for this gene.

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