Compound ID | 257
Class: Dihydrofolate reductase inhibitor
Details of activity: | Mycobacterium avium dihydrofolate reductase inhibitors; most active compound in series against Mycobacterium avium |
Description: | Barrow EW, Suling WJ, Seitz, LE, etc. Screening of new selective inhibitors for Mycobacterium avium DHFR. Poster F-734 44th-ICAAC 2004;206. |
Institute where first reported: | Oklahoma State Univ., Coll of Vet. Med., US; Southern Res. Inst., USA |
Year first mentioned: | 2004 |
Highest developmental phase: | Preclinical |
Development status: | Inactive |
Reason Dropped: | These were presented in early stages of the work. They suggest other compounds in the series in development which better solubility and selectivity. It is likely, these were superseded. |
Chemical structure(s): | |
Canonical SMILES: | CCCOC1=CC=C(C=C1NCC2=C(C)C3=C(N)N=C(N)N=C3N=C2)OCC |
Isomeric SMILES: | CCCOC1=C(C=C(C=C1)OCC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N |
InChI: | InChI=1S/C20H26N6O2/c1-4-8-28-16-7-6-14(27-5-2)9-15(16)23-10-13-11-24-19-17(12(13)3)18(21)25-20(22)26-19/h6-7,9,11,23H,4-5,8,10H2,1-3H3,(H4,21,22,24,25,26) |
InChI Key: | SZAZJRVSIHGLCG-UHFFFAOYSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/15954345 |
External links: | |
Guide to Pharmacology: | SRI-20920 |
Citation: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1280141/ |