Detailed information for compound 71082
Basic information
Technical information
- TDR Targets ID: 71082
- Name: 2,4-diamino-5-chloro-N,N-diethylquinazoline-6 -sulfonamide
- MW: 329.806 | Formula: C12H16ClN5O2S
-
H donors: 2
H acceptors: 4
LogP: 1.35
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CCN(S(=O)(=O)c1ccc2c(c1Cl)c(N)nc(n2)N)CC
- InChi: 1S/C12H16ClN5O2S/c1-3-18(4-2)21(19,20)8-6-5-7-9(10(8)13)11(14)17-12(15)16-7/h5-6H,3-4H2,1-2H3,(H4,14,15,16,17)
- InChiKey: LXIZEVZFNIAAOK-UHFFFAOYSA-N
Network
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Synonyms
- 2,4-diamino-5-chloro-N,N-diethyl-quinazoline-6-sulfonamide
- 2,4-diamino-5-chloro-N,N-diethyl-6-quinazolinesulfonamide
- 2,4-bis(azanyl)-5-chloro-N,N-diethyl-quinazoline-6-sulfonamide
- 92144-21-3
- AIDS-195810
- AIDS195810
- 2,4-Diamino-5-chloro-quinazoline-6-sulfonic acid diethylamide
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 |
|---|---|---|---|---|
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Brugia malayi | SH2 domain containing protein | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Brugia malayi | SRC-1 | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0068 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0068 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0068 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0068 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0068 | 1 | 1 |
| Brugia malayi | protein-tyrosine kinase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0068 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0068 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Delta MST (functional) | = 2.3 day | Change in mean survival of Plasmodium berghei infected mice following 40 mg/kg s.c. administration 72 hr after inoculation. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 2.3 day | Change in mean survival of Plasmodium berghei infected mice following 40 mg/kg s.c. administration 72 hr after inoculation. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 4.3 day | Change in mean survival of Plasmodium berghei infected mice following 80 mg/kg s.c. administration 72 hr after inoculation. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 4.3 day | Change in mean survival of Plasmodium berghei infected mice following 80 mg/kg s.c. administration 72 hr after inoculation. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 5 day |
Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 640 mg/kg; value signifies the no. of toxic deaths occurring on days 2 -5 after infection |
ChEMBL. | 6502605 |
| Delta MST (functional) | = 5 day |
Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 640 mg/kg; value signifies the no. of toxic deaths occurring on days 2 -5 after infection |
ChEMBL. | 6502605 |
| Delta MST (functional) | = 14.9 day | Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 160 mg/kg. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 14.9 day | Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 160 mg/kg. | ChEMBL. | 6502605 |
| Delta MST (functional) | = 18.9 day | Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 320 mg/kg | ChEMBL. | 6502605 |
| Delta MST (functional) | = 18.9 day | Antimalarial activity against drug-sensitive strain of Plasmodium berghei in mice after 72 hr (s.c.). The mean survival time of treated mice minus mean survival time of control mice at 320 mg/kg | ChEMBL. | 6502605 |
| MIC (functional) | < 0.25 ug ml-1 | In vitro antibacterial activity against Streptococcus faecalis MGH-2. | ChEMBL. | 6502605 |
| MIC (functional) | = 10 ug ml-1 | In vitro antibacterial acitivity against Streptococcus aureus U.C-76. | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | In vitro antibacterial activity against Streptococcus aureus S 18713. | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | In vitro against Pseudomonas aeruginosa 28. by gradient-plate test | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | Tested in vitro against Escherichia coli Vogel. by gradient-plate test | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | In vitro antibacterial activity against Shigella sonnei C-10. | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | In vitro antibacterial activity against Mycobacterium tuberculosis H37Rv. | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | Tested in vitro against Escherichia coli Vogel. by gradient-plate test | ChEMBL. | 6502605 |
| MIC (functional) | > 25 ug ml-1 | In vitro antibacterial activity against Mycobacterium tuberculosis H37Rv. | ChEMBL. | 6502605 |
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.
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
- ChEMBL: CHEMBL299158
- PubChem: 516572
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.