Detailed information for compound 48486

Basic information

Technical information
  • TDR Targets ID: 48486
  • Name: 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino) -6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
  • MW: 405.489 | Formula: C24H27N3O3
  • H donors: 0 H acceptors: 1 LogP: 3.73 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CCn1c2cc(nc1=O)N(c1c(C)cc(cc1C)C)C
  • InChi: 1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)26(4)22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)25-22/h9-13H,7-8H2,1-6H3
  • InChiKey: KLRZTPNHBOIVSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9,10-dimethoxy-2-[methyl-(2,4,6-trimethylphenyl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

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 integrin alpha ps 0.0133 0.0414 0.0914
Brugia malayi Protein kinase domain containing protein 0.0304 0.1648 0.1529
Echinococcus granulosus Solute carrier organic anion transporter family 0.0097 0.0155 0.0048
Loa Loa (eye worm) hypothetical protein 0.0233 0.1132 0.0993
Brugia malayi Integrin beta pat-3 precursor 0.0593 0.3724 0.3635
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0367 0.2099 0.6532
Echinococcus multilocularis integrin alpha 3 0.0227 0.1093 0.3177
Schistosoma mansoni integrin alpha-ps 0.0133 0.0414 0.156
Schistosoma mansoni memapsin-2 (A01 family) 0.0444 0.2655 1
Echinococcus granulosus integrin alpha ps 0.0133 0.0414 0.0914
Schistosoma mansoni organic anion transporter 0.0097 0.0155 0.0582
Loa Loa (eye worm) hypothetical protein 0.0304 0.1648 0.1516
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0097 0.0155 0.0048
Loa Loa (eye worm) hypothetical protein 0.0163 0.0635 0.0488
Schistosoma mansoni organic anion transporter 0.0097 0.0155 0.0582
Loa Loa (eye worm) hypothetical protein 0.0224 0.1071 0.0931
Echinococcus granulosus integrin beta 2 0.0511 0.3139 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0097 0.0155 0.0015
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0304 0.1648 0.5028
Brugia malayi sulfakinin receptor protein 0.0898 0.5921 0.5864
Loa Loa (eye worm) hypothetical protein 0.0105 0.0213 0.006
Trypanosoma cruzi MFS transporter, putative 0.0097 0.0155 0.5
Toxoplasma gondii transporter, major facilitator family protein 0.0097 0.0155 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.0296 0.1591 0.1471
Loa Loa (eye worm) integrin alpha pat-2 0.0457 0.2745 0.2631
Brugia malayi hypothetical protein 0.0097 0.0155 0.0015
Brugia malayi Kelch motif family protein 0.0105 0.0213 0.0074
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0304 0.1648 0.1516
Echinococcus multilocularis integrin alpha ps 0.0133 0.0414 0.0914
Brugia malayi hypothetical protein 0.0105 0.0213 0.0074
Loa Loa (eye worm) hypothetical protein 0.1464 1 1
Brugia malayi hypothetical protein 0.0097 0.0155 0.0015
Loa Loa (eye worm) hypothetical protein 0.0898 0.5921 0.5857
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0105 0.0213 0.006
Schistosoma mansoni integrin alpha 0.0296 0.1591 0.599
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0304 0.1648 0.5028
Loa Loa (eye worm) hypothetical protein 0.0304 0.1648 0.1516
Brugia malayi sodium-independent organic anion transporter family protein 0.0097 0.0155 0.0015
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0097 0.0155 0.0048
Echinococcus granulosus integrin alpha 3 0.0227 0.1093 0.3177
Brugia malayi GnHR receptor homolog 0.0517 0.3177 0.308
Onchocerca volvulus Putative organic anion transporter 0.1464 1 1
Loa Loa (eye worm) integrin beta-2 0.0593 0.3724 0.3625
Brugia malayi hypothetical protein 0.0898 0.5921 0.5864
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0097 0.0155 0.0048
Schistosoma mansoni integrin beta subunit 0.0406 0.2384 0.8978
Echinococcus granulosus tachykinin peptides receptor 99D 0.0367 0.2099 0.6532
Echinococcus multilocularis integrin beta 2 0.0511 0.3139 1
Schistosoma mansoni serine/threonine protein kinase 0.0309 0.1683 0.6339
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0224 0.1071 0.0944
Brugia malayi sodium-independent organic anion transporter family protein 0.0097 0.0155 0.0015

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 206 Antihypertensive activity in conscious SH rats was assayed by calculating units of area under the curve, administered perorally (5 mg/kg) ChEMBL. 6492077
Delta blood pressure (functional) = -45 mmHg Difference in systolic blood pressure of SH rats observed prior to the first application and 2 hr after the fifth application at the oral dose of 5 mg/kg was expressed as Delta BP ChEMBL. 6492077
ED25 (functional) = 0.03 mg kg-1 Dose estimated to produce 25 mm Hg fall in mean systemic blood pressure of anesthetized cat at 10 min after administration ChEMBL. 6492077
ED25 (functional) = 0.03 mg kg-1 Blood pressure lowering activity in anesthetized cats after intravenous administration of 5 mg/kg of compound ChEMBL. 6492077
LD50 (ADMET) = 27 mg kg-1 Compound was tested for toxicity in mice after intraperitoneal administration ChEMBL. 6492077

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.

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