Detailed information for compound 901959

Basic information

Technical information
  • TDR Targets ID: 901959
  • Name: 4-butoxy-N-[4-[(4-ethylamino-6-methylpyrimidi n-2-yl)amino]phenyl]benzamide
  • MW: 419.519 | Formula: C24H29N5O2
  • H donors: 3 H acceptors: 3 LogP: 5.22 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)NCC
  • InChi: 1S/C24H29N5O2/c1-4-6-15-31-21-13-7-18(8-14-21)23(30)27-19-9-11-20(12-10-19)28-24-26-17(3)16-22(29-24)25-5-2/h7-14,16H,4-6,15H2,1-3H3,(H,27,30)(H2,25,26,28,29)
  • InChiKey: MNIHQHZOVMAFDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-butoxy-N-[4-[(4-ethylamino-6-methyl-pyrimidin-2-yl)amino]phenyl]benzamide
  • 4-butoxy-N-[4-[(4-ethylamino-6-methyl-2-pyrimidinyl)amino]phenyl]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
Loa Loa (eye worm) dihydrofolate reductase 0.0235 0.1478 0.4448
Onchocerca volvulus 0.0117 0.0674 0.1957
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0102 0.0571 0.3837
Echinococcus granulosus voltage dependent calcium channel 0.0102 0.0571 0.0542
Echinococcus multilocularis voltage dependent calcium channel 0.0287 0.1832 0.1807
Loa Loa (eye worm) hypothetical protein 0.0087 0.047 0.1413
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0056 0.0256 0.1723
Brugia malayi hypothetical protein 0.0506 0.3323 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0287 0.1832 0.1807
Echinococcus multilocularis Protein lozenge 0.0063 0.0309 0.028
Chlamydia trachomatis dihydrofolate reductase 0.0235 0.1478 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0287 0.1832 0.1807
Echinococcus granulosus voltage dependent calcium channel 0.0287 0.1832 0.1807
Loa Loa (eye worm) hypothetical protein 0.0087 0.047 0.1413
Echinococcus granulosus thymidylate synthase 0.0117 0.0674 0.0646
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0256 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0235 0.1478 1
Echinococcus multilocularis kinesin family 1 0.1485 1 1
Schistosoma mansoni dihydrofolate reductase 0.0235 0.1478 0.1673
Mycobacterium ulcerans thymidylate synthase 0.0117 0.0674 0.4563
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0287 0.1832 0.2082
Plasmodium vivax kinesin-5 0.0193 0.1192 0.797
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0287 0.1832 0.1807
Toxoplasma gondii kinesin motor domain-containing protein 0.0193 0.1192 0.7402
Echinococcus multilocularis ankyrin repeat protein 0.0288 0.184 0.1815
Toxoplasma gondii hypothetical protein 0.0087 0.047 0.1058
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0102 0.0571 0.3837
Brugia malayi thymidylate synthase 0.0117 0.0674 0.203
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0349 0.2347
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0349 0.0369
Echinococcus multilocularis dihydrofolate reductase 0.0235 0.1478 0.1452
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.0306 0.0277
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0236 0.1488 1
Brugia malayi Dihydrofolate reductase 0.0235 0.1478 0.4448
Loa Loa (eye worm) voltage-dependent calcium channel 0.0102 0.0571 0.1718
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0091
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0287 0.1832 0.1807
Brugia malayi Cytochrome P450 family protein 0.003 0.008 0.0242
Loa Loa (eye worm) runx1 0.0063 0.0309 0.093
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0287 0.1832 0.1807
Schistosoma mansoni voltage-gated cation channel 0.0287 0.1832 0.2082
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0349 0.076
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0349 0.2362
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0236 0.1488 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0236 0.1488 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0287 0.1832 0.2082
Echinococcus granulosus ankyrin repeat protein 0.0288 0.184 0.1815
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0287 0.1832 0.5513
Brugia malayi Kinesin motor domain containing protein 0.0193 0.1192 0.3587
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0349 0.2362
Loa Loa (eye worm) hypothetical protein 0.0506 0.3323 1
Toxoplasma gondii transporter, cation channel family protein 0.0102 0.0571 0.1947
Schistosoma mansoni hypothetical protein 0.1292 0.8685 1
Loa Loa (eye worm) thymidylate synthase 0.0117 0.0674 0.203
Echinococcus granulosus transient receptor potential cation channel 0.0303 0.1941 0.1916
Entamoeba histolytica kinesin, putative 0.0193 0.1192 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0349 0.032
Brugia malayi hypothetical protein 0.0023 0.003 0.0091
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0287 0.1832 0.1807
Echinococcus granulosus dihydrofolate reductase 0.0235 0.1478 0.1452
Loa Loa (eye worm) hypothetical protein 0.0506 0.3323 1
Brugia malayi hypothetical protein 0.0056 0.0256 0.0771
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0236 0.1488 1
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0349 0.0369
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0117 0.0674 0.0744
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0235 0.1478 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0571 0.1718
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.008 0.0242
Loa Loa (eye worm) kinesin-like protein KLP2 0.0193 0.1192 0.3587
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0235 0.1478 1
Onchocerca volvulus 0.0506 0.3323 1
Brugia malayi hypothetical protein 0.0023 0.003 0.0091
Loa Loa (eye worm) doublecortin family protein 0.0023 0.003 0.0091
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0287 0.1832 0.1807
Schistosoma mansoni lipoxygenase 0.0063 0.0306 0.0319
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0288 0.184 0.2091
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0236 0.1488 1
Schistosoma mansoni lozenge 0.0063 0.0309 0.0322
Giardia lamblia Kinesin-5 0.0193 0.1192 0.5
Brugia malayi dihydrofolate reductase family protein 0.0235 0.1478 0.4448
Loa Loa (eye worm) calcium channel 0.0287 0.1832 0.5513
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0349 0.032
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0091
Schistosoma mansoni kinesin eg-5 0.0193 0.1192 0.1342
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0349 0.2362
Echinococcus multilocularis thymidylate synthase 0.0117 0.0674 0.0646
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.0306 0.0277
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0236 0.1488 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0117 0.0674 0.3423
Brugia malayi Doublecortin family protein 0.0023 0.003 0.0091
Echinococcus multilocularis transient receptor potential cation channel 0.0303 0.1942 0.1918
Loa Loa (eye worm) hypothetical protein 0.0287 0.1832 0.5513
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0287 0.1832 0.1807
Plasmodium falciparum kinesin-5 0.0193 0.1192 0.797

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.

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