| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5288781
Max Phase: Preclinical
Molecular Formula: C20H27N3O5
Molecular Weight: 389.45
Associated Items:
Representations
Canonical SMILES: O=C(OC[C@H]1CN(c2ccc(N3CCOCC3)nc2)C(=O)O1)C1CCCCC1
Standard InChI: InChI=1S/C20H27N3O5/c24-19(15-4-2-1-3-5-15)27-14-17-13-23(20(25)28-17)16-6-7-18(21-12-16)22-8-10-26-11-9-22/h6-7,12,15,17H,1-5,8-11,13-14H2/t17-/m1/s1
Standard InChI Key: ZDGQOYRDRWYUHP-QGZVFWFLSA-N
Associated Targets(non-human)
Metaphire posthuma 42 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: 389.45 | Molecular Weight (Monoisotopic): 389.1951 | AlogP: 2.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 81.20 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.31 | CX LogP: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.72 | Np Likeness Score: -1.47 |
References
| 1. Fernandes GFS, Scarim CB, Kim SH, Wu J, Castagnolo D.. (2023) Oxazolidinones as versatile scaffolds in medicinal chemistry., 14 (5): [PMID:37252095] [10.1039/d2md00415a] |
Source
Source(1):