Compound ID | 256
Class: Dihydrofolate reductase inhibitor
Details of activity: | Mycobacterium avium dihydrofolate reductase inhibitors; compound in series with lowest ranging Mycobacterium tuberculosis MIC |
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 It is likely, these were superseded.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: | CCOC1=CC=C(C(=C1)NCC2=C(C)C3=C(N)N=C(N)N=C3N=C2)OC |
Isomeric SMILES: | CCOC1=CC(=C(C=C1)OC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N |
InChI: | InChI=1S/C18H22N6O2/c1-4-26-12-5-6-14(25-3)13(7-12)21-8-11-9-22-17-15(10(11)2)16(19)23-18(20)24-17/h5-7,9,21H,4,8H2,1-3H3,(H4,19,20,22,23,24) |
InChI Key: | CRZVJULBIPRHRY-UHFFFAOYSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/15954331 |
External links: | |
Guide to Pharmacology: | SRI-20864 |
Citation: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1280141/ |