Compound ID | 2873

KSP-1007+meropenem

Class: Beta-lactam + beta-lactamase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Gram-negatives producing class A, B, C, and D beta-lactamases
Combined with other compounds: Yes
Description: A bicyclic boronate compound
Institute where first reported: Sumitovant Biopharma, Inc.
Year first mentioned: 2023
Highest developmental phase: Phase 1 (NCT05226923)
Development status: Active as of 2024
Chemical structure(s):
Canonical SMILES: C[C@@H]1[C@@H]2[C@@H]([C@@H](C)O)C(=O)N2C(=C1S[C@H]3C[C@@H](C(=O)N(C)C)NC3)C(=O)O
Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
InChI Key: DMJNNHOOLUXYBV-PQTSNVLCSA-N
Canonical SMILES: C1=C2CCB(O)OC2=C(C(=C1)OC3CN(C3)C(=O)[C@@H](C4=CN=CN4)N)C(=O)O
Isomeric SMILES: B1(CCC2=C(O1)C(=C(C=C2)OC3CN(C3)C(=O)[C@@H](C4=CN=CN4)N)C(=O)O)O
InChI: InChI=1S/C17H19BN4O6/c19-14(11-5-20-8-21-11)16(23)22-6-10(7-22)27-12-2-1-9-3-4-18(26)28-15(9)13(12)17(24)25/h1-2,5,8,10,14,26H,3-4,6-7,19H2,(H,20,21)(H,24,25)/t14-/m1/s1
InChI Key: CAHUDGVGUAJGGS-CQSZACIVSA-N
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/149866877
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/441130
External links:
Guide to Pharmacology: KSP-1007
Main Source: https://www.abstractsonline.com/pp8/#!/10789/presentation/6827

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