Compound ID | 461

Update compound information

BAL0030544

Synonym(s): BAL30544

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
Description: Dihydrophthalazine derivative of 2,4-diaminopyrimidine; 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
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 565.63
Iso. SMILES: CN(C)C1=NC=C(C=N1)C2C3=CC=CC=C3C=NN2C(=O)/C=C/C4=C(C(=CC(=C4)CC5=CN=C(N=C5N)N)OC)OC
InChI Key: MMLDINXSLFMQNR-MDZDMXLPSA-N
Can. SMILES: CN(C)C1=NC=C(C=N1)C2C3=C(C=CC=C3)C=NN2C(=O)/C=C/C4=CC(=CC(=C4OC)OC)CC5=C(N)N=C(N)N=C5
InChI: InChI=1S/C30H31N9O3/c1-38(2)30-34-15-22(16-35-30)26-23-8-6-5-7-20(23)17-36-39(26)25(40)10-9-19-11-18(13-24(41-3)27(19)42-4)12-21-14-33-29(32)37-28(21)31/h5-11,13-17,26H,12H2,1-4H3,(H4,31,32,33,37)/b10-9+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/25033603
Citations:
  • https://doi.org/10.1128/aac.00845-09
  • https://journals.asm.org/doi/10.1128/aac.01619-08

    • AntibioticDB is supported by GARDP.

    If you have feedback, experience problems, or are interested in a collaboration, please contact us. | Terms and conditions

    The content of this site is intended for educational and scientific research purposes only and not as a source of medical advice or consultation.