Compound ID | 494

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SJG-136

Class: DNA synthesis inhibitor (pyrrolobenzodiazepine)

Spectrum of activity: Gram-negative
Details of activity: Double stranded DNA cross linking agent this compound is not able to penetrate Gram negatives. In trials in rodents, the inhibitory concentrations are below maximum tolerated doses for MRSA and VRE.
Institute where first reported: Spirogen Ltd (Medimmune, USA)
Year first mentioned: 2004
Highest developmental phase: Phase 2
Development status: Inactive
Reason Dropped: This is currently in trials as a cancer treatment but as an antibiotic, R&D seems to have stopped
Chemical structure(s):
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Molecular weight: 556.61
Iso. SMILES: COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
InChI Key: RWZVMMQNDHPRQD-SFTDATJTSA-N
Can. SMILES: C=C1C[C@H]2C=NC3=C(C=C(C(=C3)OCCCOC4=CC5=C(C=C4OC)C(=O)N6CC(=C)C[C@H]6C=N5)OC)C(=O)N2C1
InChI: InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/393111
Citation:

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