Compound ID | 709

Update compound information

BAL0030543

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Folate synthesis inhibitor. Dihydrofolate reductase inhibitor; dihydrophthalazine inhibitor; DHFR inhibitor
Target Pathogen: Active against Staphylococcus aureus, Streptococcus, and Listeria monocytogenes
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 development stage: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 552.58
Iso. SMILES: COC1=CC(=CC(=C1OC)/C=C/C(=O)N2C(C3=CC=CC=C3C=N2)C4=CN=C(N=C4)OC)CC5=CN=C(N=C5N)N
InChI Key: DQACSDIFXYEAFK-CMDGGOBGSA-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)OC)C5=C(C=CC=C5)C=N3)OC
InChI: InChI=1S/C29H28N8O4/c1-39-23-12-17(11-20-13-32-28(31)36-27(20)30)10-18(26(23)40-2)8-9-24(38)37-25(21-14-33-29(41-3)34-15-21)22-7-5-4-6-19(22)16-35-37/h4-10,12-16,25H,11H2,1-3H3,(H4,30,31,32,36)/b9-8+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/53321902
Citations:
  • https://journals.asm.org/doi/10.1128/aac.00845-09
  • https://journals.asm.org/doi/10.1128/aac.01619-08

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