Compound ID | 492

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DRG-16

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: DNA synthesis inhibitor. DNA minor groove binder
Description: Pyrrolobenzodiazepine scaffold
Institute where first reported: Spirogen Ltd (Medimmune, USA)
Year first mentioned: 2004
Development status: Experimental
Chemical structure(s):
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Molecular weight: 584.66
Iso. SMILES: COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
InChI Key: KYNCKSRRIFFPJS-GOTSBHOMSA-N
Can. SMILES: C=C1C[C@H]2C=NC3=C(C=C(C(=C3)OCCCCCOC4=CC5=C(C=C4OC)C(=O)N6CC(=C)C[C@H]6C=N5)OC)C(=O)N2C1
InChI: InChI=1S/C33H36N4O6/c1-20-10-22-16-34-26-14-30(28(40-3)12-24(26)32(38)36(22)18-20)42-8-6-5-7-9-43-31-15-27-25(13-29(31)41-4)33(39)37-19-21(2)11-23(37)17-35-27/h12-17,22-23H,1-2,5-11,18-19H2,3-4H3/t22-,23-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9938287
Citation: https://doi.org/10.1093/jac/dki256

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