Compound ID | 462

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BAL30545

Class: Dihydrofolate reductase inhibitor (phthalazines)

Spectrum of activity: Gram-negative
Details of activity: DHFR inhibitors; BAL 30543, BAL30544 and BAL 30545, were all lead compounds which were being developed as oral drugs for Staphyloccal infections, however, these have not been reported on since 2010
Description: Ednie LM, Smith KA, Shapiro S, et al. Dihydrophthalazine antifolates, a family of novel antibacterial drugs: in vitro activities against MSSA and MRSA. 47th-ICAAC-2007 2007;233
Institute where first reported: Basilea Pharmaceutica AG, Switzerland
Year first mentioned: 2007
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 607.66
Iso. SMILES: COC1=CC(=CC(=C1OC)/C=C/C(=O)N2C(C3=CC=CC=C3C=N2)C4=CN=C(N=C4)N5CCOCC5)CC6=CN=C(N=C6N)N
InChI Key: YTQNXENPQFRJGI-BQYQJAHWSA-N
Can. SMILES: COC1=C(C(=CC(=C1)CC2=C(N)N=C(N)N=C2)/C=C/C(=O)N3C(C4=CN=C(N=C4)N5CCOCC5)C6=C(C=CC=C6)C=N3)OC
InChI: InChI=1S/C32H33N9O4/c1-43-26-15-20(14-23-16-35-31(34)39-30(23)33)13-21(29(26)44-2)7-8-27(42)41-28(25-6-4-3-5-22(25)19-38-41)24-17-36-32(37-18-24)40-9-11-45-12-10-40/h3-8,13,15-19,28H,9-12,14H2,1-2H3,(H4,33,34,35,39)/b8-7+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/25033604
Citation:

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