Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0SB0W
|
||||
| Former ID |
DNC003529
|
||||
| Drug Name |
8-(2,4-dimethoxyphenyl)-9H-purine-2,6-diamine
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [530674] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H14N6O2
|
||||
| Canonical SMILES |
COC1=CC(=C(C=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)OC
|
||||
| InChI |
1S/C13H14N6O2/c1-20-6-3-4-7(8(5-6)21-2)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)
|
||||
| InChIKey |
GCFWRZGRJQMBPE-UHFFFAOYSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Dihydrofolate reductase | Target Info | Inhibitor | [530674] | |
| PathWhiz Pathway | Folate Metabolism | ||||
| Pterine Biosynthesis | |||||
| References | |||||
| Ref 530674 | Bioorg Med Chem. 2010 Feb 15;18(4):1684-701. Epub 2010 Jan 6.CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application. | ||||
| Ref 530674 | Bioorg Med Chem. 2010 Feb 15;18(4):1684-701. Epub 2010 Jan 6.CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.