ID: ALA5280380
Chembl Id: CHEMBL5280380
Max Phase: Preclinical
Molecular Formula: C16H30BN3O6
Molecular Weight: 371.24
Associated Items:
Canonical SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C)C(C)C
Standard InChI: InChI=1S/C16H30BN3O6/c1-9(2)12(18-16(23)26-5)15(22)20-8-6-7-11(20)14(21)19-13(10(3)4)17(24)25/h9-13,24-25H,6-8H2,1-5H3,(H,18,23)(H,19,21)/t11-,12-,13-/m0/s1
Standard InChI Key: SKKWOJGSBZEZTL-AVGNSLFASA-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: | 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: 371.24 | Molecular Weight (Monoisotopic): 371.2228 | 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. Plescia J, Moitessier N.. (2020) Design and discovery of boronic acid drugs., 195 [PMID:32302879] [10.1016/j.ejmech.2020.112270] |
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