Detailed information for compound 848235

Basic information

Technical information
  • TDR Targets ID: 848235
  • Name: N-[(3-chlorophenyl)methylideneamino]-6-(3,5-d imethylpyrazol-1-yl)-2-methylpyrimidin-4-amin e
  • MW: 340.81 | Formula: C17H17ClN6
  • H donors: 1 H acceptors: 3 LogP: 4.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C=NNc1nc(C)nc(c1)n1nc(cc1C)C
  • InChi: 1S/C17H17ClN6/c1-11-7-12(2)24(23-11)17-9-16(20-13(3)21-17)22-19-10-14-5-4-6-15(18)8-14/h4-10H,1-3H3,(H,20,21,22)/b19-10+
  • InChiKey: XXKFAFQVGCFORG-VXLYETTFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3-chlorophenyl)methyleneamino]-6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-amine
  • N-[(3-chlorophenyl)methyleneamino]-6-(3,5-dimethyl-1-pyrazolyl)-2-methyl-4-pyrimidinamine
  • [(3-chlorobenzylidene)amino]-[6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-yl]amine
  • N-[(3-chlorophenyl)methylideneamino]-6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidin-4-amine
  • 5338-46-5
  • BAS 00317066
  • BIM-0017678.P001
  • CBMicro_017773

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 acetylcholinesterase 0.005 0.137 0.137
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.005 0.137 0.0518
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.1929 0.1929
Echinococcus granulosus acetylcholinesterase 0.0297 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1929 0.1929
Echinococcus multilocularis acetylcholinesterase 0.0297 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.005 0.137 0.4065
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0987 0.0987
Loa Loa (eye worm) acetylcholinesterase 1 0.0297 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.005 0.137 0.137
Schistosoma mansoni BC026374 protein (S09 family) 0.005 0.137 0.137
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1929 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1358 0.1358
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Brugia malayi beta-lactamase 0.0039 0.0987 0.0987
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.1929 0.1274
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1929 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.0987 0.5
Brugia malayi Carboxylesterase family protein 0.005 0.137 0.137
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.005 0.137 1
Brugia malayi Carboxylesterase family protein 0.005 0.137 0.137
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1929 0.1929
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0987 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1358 0.1358
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0987 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1358 0.1358
Onchocerca volvulus 0.005 0.137 1
Loa Loa (eye worm) hypothetical protein 0.0297 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.1929 0.1929
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0987 0.5
Onchocerca volvulus 0.0039 0.0987 0.7205
Echinococcus multilocularis neuroligin 0.005 0.137 0.137
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0987 0.0987
Brugia malayi hypothetical protein 0.005 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0297 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.005 0.137 0.137
Schistosoma mansoni gliotactin 0.005 0.137 0.137
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0297 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0987 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.005 0.137 0.137
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.1929 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.137 0.137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1358 0.1358
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0987 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.005 0.137 0.137
Echinococcus granulosus neuroligin 0.005 0.137 0.137
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.838 1
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Onchocerca volvulus 0.005 0.137 1
Onchocerca volvulus 0.005 0.137 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1358 0.1358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1358 0.1358
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Brugia malayi Carboxylesterase family protein 0.005 0.137 0.137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1358 0.1358
Echinococcus multilocularis acetylcholinesterase 0.0297 1 1
Echinococcus granulosus acetylcholinesterase 0.0297 1 1
Echinococcus granulosus carboxylesterase 5A 0.0297 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.005 0.137 1
Brugia malayi beta-lactamase family protein 0.0039 0.0987 0.0987
Onchocerca volvulus 0.005 0.137 1
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0987 0.0987
Brugia malayi beta-lactamase family protein 0.0039 0.0987 0.0987
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0987 0.0987
Onchocerca volvulus 0.005 0.137 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.005 0.137 0.0518
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1358 0.1358
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1929 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.005 0.137 0.0518
Echinococcus multilocularis carboxylesterase 5A 0.0297 1 1
Loa Loa (eye worm) carboxylesterase 0.005 0.137 0.137
Echinococcus granulosus para nitrobenzyl esterase 0.005 0.137 0.137
Loa Loa (eye worm) carboxylesterase 0.005 0.137 0.137
Onchocerca volvulus 0.0039 0.0987 0.7205
Brugia malayi Carboxylesterase family protein 0.0297 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1358 0.1358
Loa Loa (eye worm) beta-lactamase 0.0039 0.0987 0.0987
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.1929 1
Onchocerca volvulus 0.0039 0.0987 0.7205
Loa Loa (eye worm) carboxylesterase 0.0297 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0039 0.0987 0.0987
Brugia malayi Carboxylesterase family protein 0.005 0.137 0.137
Echinococcus multilocularis para nitrobenzyl esterase 0.005 0.137 0.137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0987 0.0987
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.005 0.137 0.137
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0987 0.0987
Echinococcus granulosus BC026374 protein S09 family 0.005 0.137 0.137

Activities

No activities found for this compound.

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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