Detailed information for compound 25184

Basic information

Technical information
  • TDR Targets ID: 25184
  • Name: methyl N-[4-(acridin-9-ylamino)phenyl]carbama te
  • MW: 343.379 | Formula: C21H17N3O2
  • H donors: 2 H acceptors: 2 LogP: 4.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
  • InChi: 1S/C21H17N3O2/c1-26-21(25)23-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,22,24)(H,23,25)
  • InChiKey: XPQUXNYKZKQDIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(9-acridinylamino)phenyl]carbamic acid methyl ester
  • N-[4-(acridin-9-ylamino)phenyl]carbamic acid methyl ester
  • 64990-16-5
  • 4-(9-Acridinylamino)phenylcarbamic acid, methyl ester
  • Carbamic acid, (4-(9-acridinylamino)phenyl)-, methyl ester
  • Methyl (4-(9-acridinylamino)phenyl)carbamate

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) hypothetical protein 0.027 0.0114 0.0114
Brugia malayi Fibulin-1 precursor 0.0693 0.2342 1
Onchocerca volvulus 0.027 0.0114 0.0473
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.027 0.0114 0.0114
Onchocerca volvulus Arrow homolog 0.0623 0.1974 1
Brugia malayi Matrixin family protein 0.0283 0.0183 0.0782
Toxoplasma gondii calcium binding egf domain-containing protein 0.0693 0.2342 0.5
Echinococcus multilocularis laminin 0.0693 0.2342 0.2342
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.027 0.0114 0.0488
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0693 0.2342 0.2342
Brugia malayi Nematode astacin protease protein 30 0.027 0.0114 0.0488
Loa Loa (eye worm) hypothetical protein 0.0623 0.1974 0.1974
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0623 0.1974 0.8431
Brugia malayi Nematode astacin protease protein 30 0.027 0.0114 0.0488
Loa Loa (eye worm) DPY-31 protein 0.027 0.0114 0.0114
Loa Loa (eye worm) bone morphogenetic protein 1b 0.215 1 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.0022 0.0022
Brugia malayi Calcium binding EGF domain containing protein 0.0252 0.0022 0.0094
Echinococcus multilocularis Tolloid protein 1 0.215 1 1
Loa Loa (eye worm) matrixin family protein 0.0259 0.006 0.006
Loa Loa (eye worm) matrixin family protein 0.0283 0.0183 0.0183
Brugia malayi zinc metalloproteinase toh-2 precursor 0.027 0.0114 0.0488
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0425 0.0932 0.0932
Schistosoma mansoni egf-like domain protein 0.0623 0.1974 0.1974
Onchocerca volvulus Matrilysin homolog 0.0259 0.006 0.0195
Loa Loa (eye worm) AStacin protease 0.1344 0.5763 0.5763
Toxoplasma gondii calcium binding egf domain-containing protein 0.0693 0.2342 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0425 0.0932 0.0932
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0623 0.1974 0.1974
Onchocerca volvulus Matrix metalloproteinase homolog 0.0259 0.006 0.0195
Echinococcus multilocularis fibrillin 1 0.0693 0.2342 0.2342
Loa Loa (eye worm) hypothetical protein 0.0693 0.2342 0.2342
Brugia malayi Calcium binding EGF domain containing protein 0.0693 0.2342 1
Loa Loa (eye worm) hypothetical protein 0.0623 0.1974 0.1974
Brugia malayi astacin protease protein 30 0.027 0.0114 0.0488
Echinococcus granulosus laminin 0.0693 0.2342 0.2342
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.215 1 1
Loa Loa (eye worm) hypothetical protein 0.0876 0.33 0.33
Loa Loa (eye worm) hypothetical protein 0.2062 0.954 0.954

Activities

Activity type Activity value Assay description Source Reference
C50 (functional) = 5.3 uM Inhibitory concentration against ethidium binding to DNA ChEMBL. 7205885
IC50 (functional) = 60 nM Inhibitory concentration of the compound to reduce the growth of L1210 cells by 50% after 70 h . ChEMBL. 3820217
IC50 (functional) = 60 nM Inhibitory concentration of the compound to reduce the growth of L1210 cells by 50% after 70 h . ChEMBL. 3820217
ID50 (functional) = 26 nM Concentration for inhibiting the growth of P-388 cells by 50% over 3 days was determined ChEMBL. 7143362
ID50 (functional) = 26 nM Concentration for inhibiting the growth of P-388 cells by 50% over 3 days was determined ChEMBL. 7143362
ID50 (functional) = 60 nM Concentration for inhibiting the growth of L1210 cells by 50% over 3 days was determined ChEMBL. 7143362
ID50 (functional) = 60 nM Concentration for inhibiting the growth of L1210 cells by 50% over 3 days was determined ChEMBL. 7143362
ILS (functional) = 75 % Maximum percent increase in life span of mice was determined by L1210 assay ChEMBL. 7205885
ILS (functional) = 75 % Maximum percent increase in life span of mice was determined by L1210 assay ChEMBL. 7205885
ILS (functional) = 98 % Percentage increase in life span was measured for P-388 cells in culture after interperitoneal administration of a dose of 30 mg/kg ChEMBL. 7143362
ILS (functional) = 98 % Percentage increase in life span was measured for P-388 cells in culture after interperitoneal administration of a dose of 30 mg/kg ChEMBL. 7143362
LD10 (ADMET) = 60 mg kg-1 Drug dose that is lethal to 10% of animals was measured ChEMBL. 7205885
LD10 (ADMET) = 60 mg kg-1 Drug dose that is lethal to 10% of animals was measured ChEMBL. 7205885
Log 1/D50 (functional) = 4.08 Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice. ChEMBL. 7069706
Log 1/D50 (functional) = 4.08 Dose of the drug (mol /kg) providing a 50% life extension in L1210 assays when given at qd 1-5 schedule . ChEMBL. 3820217
Log 1/LD10 (ADMET) = 3.85 Compound concentration in mole/kg/day lethal to 10% of mice ChEMBL. 7069706
Log K (binding) = 6.23 Association constant for binding to poly [d(G-C)] ChEMBL. 7205885
Log K (binding) = 6.36 Association constant for binding to poly [d(A-T)] ChEMBL. 7205885
Log K (binding) = 6.36 Antitumor activity as association constant for DNA binding to poly (dA.dT) ChEMBL. 7143362
pKa = 7.64 Ionisation constant (pKa) ChEMBL. 7205885
pKa = 7.64 Ionization constant (pKa) ChEMBL. 7069706

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 3820217

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

4 literature references were collected for this gene.

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