ID: ALA4204887
Chembl Id: CHEMBL4204887
PubChem CID: 145978052
Max Phase: Preclinical
Molecular Formula: C10H12BNO7S
Molecular Weight: 301.08
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)c1cccc(CS(=O)(=O)C(=O)NCB(O)O)c1
Standard InChI: InChI=1S/C10H12BNO7S/c13-9(14)8-3-1-2-7(4-8)5-20(18,19)10(15)12-6-11(16)17/h1-4,16-17H,5-6H2,(H,12,15)(H,13,14)
Standard InChI Key: QHDNHPVOCKRDPE-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 301.08 | Molecular Weight (Monoisotopic): 301.0428 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. González-Bello C.. (2017) Antibiotic adjuvants - A strategy to unlock bacterial resistance to antibiotics., 27 (18): [PMID:28827113] [10.1016/j.bmcl.2017.08.027] |
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