Detailed information for compound 176344

Basic information

Technical information
  • TDR Targets ID: 176344
  • Name: 4-hydroxy-3-methoxy-N-[(E)-(4-propan-2-ylphen yl)methylideneamino]benzamide
  • MW: 312.363 | Formula: C18H20N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)C(=O)N/N=C/c1ccc(cc1)C(C)C
  • InChi: 1S/C18H20N2O3/c1-12(2)14-6-4-13(5-7-14)11-19-20-18(22)15-8-9-16(21)17(10-15)23-3/h4-12,21H,1-3H3,(H,20,22)/b19-11+
  • InChiKey: XHALGCGPVIDYCD-YBFXNURJSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-hydroxy-N-[(E)-(4-isopropylphenyl)methyleneamino]-3-methoxy-benzamide
  • 4-hydroxy-N-[(E)-(4-isopropylphenyl)methyleneamino]-3-methoxybenzamide
  • 4-hydroxy-N-[(E)-(4-isopropylbenzylidene)amino]-3-methoxy-benzamide
  • 4-hydroxy-3-methoxy-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
  • 4-hydroxy-N-[(4-isopropylphenyl)methyleneamino]-3-methoxy-benzamide
  • 4-hydroxy-N-[(4-isopropylphenyl)methyleneamino]-3-methoxybenzamide
  • 4-hydroxy-N-[(4-isopropylbenzylidene)amino]-3-methoxy-benzamide

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
Schistosoma mansoni nephrin 0.0216 0.0148 0.1093
Brugia malayi Protein kinase domain containing protein 0.2607 0.4739 0.466
Brugia malayi hypothetical protein 0.0632 0.0946 0.0811
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0344 0.0393 1
Onchocerca volvulus 0.0683 0.1044 1
Loa Loa (eye worm) TK/ALK protein kinase 0.5345 0.9997 1
Schistosoma mansoni cell adhesion molecule 0.0216 0.0148 0.1093
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0344 0.0393 0.5951
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0234 0.0182 0.0133
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0344 0.0393 0.5951
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0246 0.0205 0.5229
Loa Loa (eye worm) hypothetical protein 0.0216 0.0148 0.0098
Echinococcus granulosus tyrosine protein kinase 0.2607 0.4739 1
Echinococcus multilocularis tyrosine protein kinase 0.2607 0.4739 1
Loa Loa (eye worm) TK protein kinase 0.2607 0.4739 0.4714
Loa Loa (eye worm) hypothetical protein 0.4644 0.8651 0.8647
Trichomonas vaginalis aldehyde oxidase, putative 0.0729 0.1132 0.5
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0729 0.1132 0.5
Schistosoma mansoni hypothetical protein 0.0632 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0632 0.0946 0.0901
Echinococcus multilocularis roundabout 2 0.0216 0.0148 0.0209
Loa Loa (eye worm) hypothetical protein 0.0632 0.0946 0.0901
Loa Loa (eye worm) hypothetical protein 0.2538 0.4607 0.4581
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0246 0.0205 0.3111
Loa Loa (eye worm) hypothetical protein 0.0632 0.0946 0.0901
Loa Loa (eye worm) hypothetical protein 0.0216 0.0148 0.0098
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0246 0.0205 0.3111
Schistosoma mansoni hypothetical protein 0.0632 0.0946 1
Echinococcus granulosus MAM 0.0632 0.0946 0.1912
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0216 0.0148 0.2238
Loa Loa (eye worm) hypothetical protein 0.0216 0.0148 0.0098
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0483 0.066 1
Echinococcus granulosus roundabout 2 0.0216 0.0148 0.0209
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0729 0.1132 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0182 0.0034
Echinococcus multilocularis MAM 0.0632 0.0946 0.1912

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 43 uM Binding affinity for human Glucagon Receptor ChEMBL. 11543683
IC50 (binding) = 43 uM Binding affinity for human Glucagon Receptor ChEMBL. 11543683

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.