| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5275884
Max Phase: Preclinical
Molecular Formula: C15H24N4O7
Molecular Weight: 372.38
Associated Items:
Representations
Canonical SMILES: C[C@H](N)C(=O)N(C)CCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C15H24N4O7/c1-8(16)13(23)18(2)5-6-25-7-9-11(21)12(22)14(26-9)19-4-3-10(20)17-15(19)24/h3-4,8-9,11-12,14,21-22H,5-7,16H2,1-2H3,(H,17,20,24)/t8-,9+,11+,12+,14+/m0/s1
Standard InChI Key: MASRBPGCBQGLTN-XKYXEJCGSA-N
Associated Targets(non-human)
Phospho-N-acetylmuramoyl-pentapeptide-transferase 67 Activities
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 372.38 | Molecular Weight (Monoisotopic): 372.1645 | AlogP: -3.02 | #Rotatable Bonds: 7 |
| Polar Surface Area: 160.11 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.70 | CX Basic pKa: 8.36 | CX LogP: -3.05 | CX LogD: -3.90 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.37 | Np Likeness Score: 0.35 |
References
| 1. Serpi M, Ferrari V, Pertusati F.. (2016) Nucleoside Derived Antibiotics to Fight Microbial Drug Resistance: New Utilities for an Established Class of Drugs?, 59 (23): [PMID:27607900] [10.1021/acs.jmedchem.6b00325] |
Source
Source(1):