ID: ALA5187858
Chembl Id: CHEMBL5187858
PubChem CID: 168283149
Max Phase: Preclinical
Molecular Formula: C7H13BO6
Molecular Weight: 203.99
Associated Items:
Canonical SMILES: OB1CC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O1
Standard InChI: InChI=1S/C7H13BO6/c9-4-5(10)7(11)13-3-1-2-8(12)14-6(3)4/h3-7,9-12H,1-2H2/t3-,4-,5-,6-,7?/m1/s1
Standard InChI Key: BBWGCVASNGTZNC-YDEIVXIUSA-N
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 203.99 | Molecular Weight (Monoisotopic): 204.0805 | 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. Muz B, Azab AK, Confalonieri L, Del Grosso E, Fallarini S, Imperio D, Panza L.. (2022) Synthesis, equilibrium, and biological study of a C-7 glucose boronic acid derivative as a potential candidate for boron neutron capture therapy., 59 [PMID:35217358] [10.1016/j.bmc.2022.116659] |
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